SCHEMBL513788

SCHEMBL513788

C=CCOC(=O)c1ccccc1C(=O)OCCCCC

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.77
CYP3A4 P08684 4/20 0.77
MAPK1 P28482 3/20 0.77
TP53 P04637 1/20 0.77
ALDH1A1 P00352 9/20 0.74
LMNA P02545 3/20 0.74
L3MBTL1 Q9Y468 3/20 0.69
TDP1 Q9NUW8 3/20 0.69
HSD17B10 Q99714 3/20 0.61
KDM4E B2RXH2 3/20 0.61
POLB P06746 1/20 0.61
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
CA2 P00918 1/20 0.47

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
SCHEMBL3399986 0.99 ALDH1A1 (0.77) TSHRCYP3A4MAPK1TP53ALDH1A1
Benzene SCHEMBL28119333 0.97 ALDH1A1 (0.75) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL15506384 0.95 TSHR (0.76) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL27482122 0.90 ALDH1A1 (0.82) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL28050871 0.90 ALDH1A1 (0.63) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL2349387 0.89 CYP3A4 (0.77) TSHRCYP3A4MAPK1TP53ALDH1A1
Propene SCHEMBL27266744 0.88 ALDH1A1 (0.84) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL57859 0.87 TSHR (1.00) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL29351843 0.87 TSHR (1.00) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL28841406 0.87 ALDH1A1 (0.77) TSHRCYP3A4MAPK1TP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240109998-A1 POLYURETHANE ELASTOMER COMPOSITION COMPRISING LIGNIN Evoco Limited (CA) 2024-04-04 US claimed
US-8399062-B2 Elastomeric foam product GUARDIAN BUILDING PRODUCTS, INC. (US) 2013-03-19 US claimed
CN-102947372-A Thermoplastic and/or elastomeric composite material containing carbon nanotubes and graphenes ARKEMA FRANCE 2013-02-27 CN claimed
CN-102764247-A Rapidly dissolving film for delivery of an active agent CORIUM INT 2012-11-07 CN claimed
CN-1929819-B Fast dissolving film for delivery of active agents CORIUM INTERNAT INC 2012-02-29 CN claimed
CN-102264809-A Method for preparing thermoplastic composite material containing nanotubes, particularly carbon nanotubes 2011-11-30 CN claimed
US-20100068463-A1 Elastomeric Foam Product GUARDIAN BUILDING PRODUCTS, INC. (US) 2010-03-18 US claimed
CN-1929819-A Fast dissolving film for delivery of active agents CORIUM INTERNAT INC (US) 2007-03-14 CN claimed
US-20060160936-A1 PLASTICIZED POLYURETHANES FOR USE IN GOLF BALLS JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2006-07-20 US claimed
US-20050137030-A1 Plasticized polyurethanes for use in golf balls JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2005-06-23 US claimed
US-20040132899-A1 Golf ball comprising a plasticized polyurethane JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2004-07-08 US claimed
CN-1283153-A Polymeric film having coating layer of phosphonic acid group containing polymer DU PONT (US) 2001-02-07 CN claimed
WO-2000073368-A1 COMPOSITION FOR USE IN FLEXIBLE POLYURETHANE FOAMS SOLUTIA INC. (US) 2000-12-07 WO claimed
EP-0646154-B1 FLEXIBLE WATER-BLOWN POLYURETHANE FOAMS MONSANTO CO (US) 1997-12-03 EP claimed
US-5624968-A Flexible water-blown polyurethane foams MONSANTO COMPANY (US) 1997-04-29 US claimed
EP-0646154-A1 FLEXIBLE WATER-BLOWN POLYURETHANE FOAMS MONSANTO COMPANY (US) 1995-04-05 EP claimed
EP-0626419-A1 ABS compatible resin/binder carrier for dry free flowing colorant premixes GENERAL ELECTRIC COMPANY (US) 1994-11-30 EP claimed
US-5232956-A Of a polyol and diphenylmethane diisocyanate, and a phthalate, benzoate or phosphate ester plasticizer MONSANTO COMPANY (US) 1993-08-03 US claimed
WO-1993003090-A1 FLEXIBLE WATER-BLOWN POLYURETHANE FOAMS MONSANTO COMPANY (US) 1993-02-18 WO claimed
US-4169922-A ALKYL ARYL PHTHALATE MONSANTO COMPANY (US) 1979-10-02 US claimed