SCHEMBL30624

SCHEMBL30624

CCCCCCCCCc1ccc(O)c(CN(C)CC(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 3/20 0.57
PPARA Q07869 3/20 0.53
ALDH1A1 P00352 2/20 0.47
BCHE P06276 1/20 0.46
EP300 Q09472 1/20 0.45
KAT5 Q92993 1/20 0.45
STAT3 P40763 1/20 0.44
PPARG P37231 2/20 0.44
ESR1 P03372 2/20 0.43
ADRA2A P08913 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
TACR2 P21452 2/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
SHBG P04278 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29634826 1.00 KAT8 (0.57) KAT8PPARAALDH1A1BCHEEP300
SCHEMBL2005845 0.99 KAT8 (0.56) KAT8PPARAALDH1A1BCHEEP300
SCHEMBL28055831 0.99 KAT8 (0.56) KAT8PPARAALDH1A1BCHEEP300
SCHEMBL8596017 0.88 KAT8 (0.58) KAT8PPARAALDH1A1BCHEEP300
Potassium Ion SCHEMBL7928665 0.87 KAT8 (0.51) KAT8PPARAALDH1A1BCHEEP300
SCHEMBL30206997 0.87 KAT8 (0.51) KAT8PPARAALDH1A1BCHEEP300
Lithium Ion SCHEMBL7919579 0.87 KAT8 (0.51) KAT8PPARAALDH1A1BCHEEP300
SCHEMBL7928563 0.87 KAT8 (0.51) KAT8PPARAALDH1A1BCHEEP300
SCHEMBL536515 0.87 KAT8 (0.51) KAT8PPARAALDH1A1BCHEEP300
SCHEMBL7925730 0.87 KAT8 (0.51) KAT8PPARAALDH1A1BCHEEP300

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 228 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190315905-A1 AMINE CATALYSTS FOR POLYURETHANE FOAMS SOLSTICE ADVANCED MATERIALS US, INC. 2019-10-17 US claimed
EP-3548533-A1 POLYURETHANE RIGID FOAM, METHOD FOR PRODUCING SAME, AND USE THEREOF Covestro Deutschland AG (DE) 2019-10-09 EP claimed
EP-2770003-B1 INSULATION MOULDING AND METHOD FOR ITS MANUFACTURE COVESTRO DEUTSCHLAND AG (DE) 2018-09-12 EP claimed
US-10066071-B2 Stabilization of polyurethane foam polyol premixes containing halogenated olefin blowing agents HONEYWELL INTERNATIONAL INC. (US) 2018-09-04 US claimed
US-20170088662-A1 AMINE CATALYSTS FOR POLYURETHANE FOAMS HONEYWELL INTERNATIONAL INC. 2017-03-30 US claimed
US-20170002166-A1 STABILIZATION OF POLYURETHANE FOAM POLYOL PREMIXES CONTAINING HALOGENATED OLEFIN BLOWING AGENTS SOLSTICE ADVANCED MATERIALS US, INC. 2017-01-05 US claimed
US-9453115-B2 Stabilization of polyurethane foam polyol premixes containing halogenated olefin blowing agents HONEYWELL INTERNATIONAL INC. (US) 2016-09-27 US claimed
EP-2744839-B1 METHOD FOR MANUFACTURING A POLYURETHANE POLYISOCYANURATE RIGID FOAM COVESTRO DEUTSCHLAND AG (DE) 2016-02-24 EP claimed
EP-2812370-B1 METHOD FOR PRODUCING A HARD POLYURETHANE-POLYISOCYANURATE FOAMED MATERIAL COVESTRO DEUTSCHLAND AG (DE) 2015-11-04 EP claimed
EP-2197935-B1 STABILIZATION OF POLYURETHANE FOAM POLYOL PREMIXES CONTAINING HALOGENATED OLEFIN BLOWING AGENTS HONEYWELL INT INC (US) 2013-08-21 EP claimed
EP-2197935-A2 STABILIZATION OF POLYURETHANE FOAM POLYOL PREMIXES CONTAINING HALOGENATED OLEFIN BLOWING AGENTS Honeywell International Inc. (US) 2010-06-23 EP claimed
EP-2197933-A2 AMINE CATALYSTS FOR POLYURETHANE FOAMS Honeywell International Inc. (US) 2010-06-23 EP claimed
US-20090099273-A1 NON-SILICONE SURFACTANTS FOR POLYURETHANE OR POLYISOCYANURATE FOAM CONTAINING HALOGENATED OLEFINS AS BLOWING AGENTS HONEYWELL INTERNATIONAL INC. 2009-04-16 US claimed
US-20090099272-A1 STABILIZATION OF POLYURETHANE FOAM POLYOL PREMIXES CONTAINING HALOGENATED OLEFIN BLOWING AGENTS SOLSTICE ADVANCED MATERIALS US, INC. 2009-04-16 US claimed
WO-2009048826-A2 STABILIZATION OF POLYURETHANE FOAM POLYOL PREMIXES CONTAINING HALOGENATED OLEFIN BLOWING AGENTS HONEYWELL INTERNATIONAL INC. (US) 2009-04-16 WO claimed
WO-2009048807-A2 AMINE CATALYSTS FOR POLYURETHANE FOAMS HONEYWELL INTERNATIONAL INC. (US) 2009-04-16 WO claimed
US-20090099274-A1 AMINE CATALYSTS FOR POLYURETHANE FOAMS SOLSTICE ADVANCED MATERIALS US, INC. 2009-04-16 US claimed
US-5844012-A Process and composition for improving the cure of water-blown molded polyurethane foam AIR PRODUCTS AND CHEMICALS, INC. (US) 1998-12-01 US claimed
EP-0445837-B1 Crosslinkable polyester/isocyanate compositions suitable for the preparation of composite materials SIR IND SPA (IT) 1997-01-08 EP claimed
US-5382626-A Formation of polyurethanes and crosslinking with vinyl groups and unsaturated polyesters MONTEDISON S.P.A. (IT) 1995-01-17 US claimed