SCHEMBL5196832

SCHEMBL5196832

C=CCOC(=O)c1cccc(Cc2ccccc2)c1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.59
ALDH1A1 P00352 4/20 0.52
TSHR P16473 3/20 0.52
HSD17B10 Q99714 1/20 0.52
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 6/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
NFKB1 P19838 1/20 0.40
CYP2C19 P33261 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL5693759 0.93 CYP3A4 (0.60) CYP3A4ALDH1A1TSHRHSD17B10MEN1
SCHEMBL3260010 0.88 CYP3A4 (0.68) CYP3A4ALDH1A1TSHRHSD17B10MEN1
SCHEMBL22418858 0.85 CYP3A4 (0.59) CYP3A4ALDH1A1TSHRHSD17B10MEN1
SCHEMBL29077394 0.84 ALDH1A1 (0.53) CYP3A4ALDH1A1TSHRHSD17B10KDM4E
SCHEMBL6395025 0.82 TSHR (0.56) CYP3A4ALDH1A1TSHRHSD17B10MEN1
SCHEMBL28431291 0.82 CYP3A4 (0.67) CYP3A4ALDH1A1TSHRHSD17B10MEN1
SCHEMBL27438623 0.81 CYP3A4 (0.61) CYP3A4ALDH1A1TSHRHSD17B10MEN1
SCHEMBL11303035 0.79 CYP3A4 (0.63) CYP3A4ALDH1A1TSHRHSD17B10MEN1
SCHEMBL10445053 0.79 ALDH1A1 (0.56) CYP3A4ALDH1A1TSHRKMT2AKDM4E
SCHEMBL9292169 0.78 CYP3A4 (0.58) CYP3A4ALDH1A1TSHRHSD17B10MEN1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1505104-B1 Foamable compositions comprising benzoic acid isononyl esters OXENO OLEFINCHEMIE GMBH (DE) 2007-01-31 EP claimed
EP-0988341-B1 FILLED ELASTOMERIC COMPOSITION AND APPARATUS MADE OF SAME MINNESOTA MINING & MFG (US) 2006-05-10 EP claimed
EP-1505104-A1 Foamable compositions comprising benzoic acid isononyl esters Oxeno Olefinchemie GmbH (DE) 2005-02-09 EP claimed
EP-0988341-A1 FILLED ELASTOMERIC COMPOSITION AND APPARATUS MADE OF SAME MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2000-03-29 EP claimed
US-5879504-A DECAL, PAINT, ADHESIVE REMOVING ELASTOMERIC DISK CONTAINING LUBRICANT AND PARTICLES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-03-09 US claimed
WO-1998055545-A1 FILLED ELASTOMERIC COMPOSITION AND APPARATUS MADE OF SAME MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-12-10 WO claimed
EP-1505104-B1 Foamable compositions comprising benzoic acid isononyl esters OXENO OLEFINCHEMIE GMBH (DE) 2007-01-31 EP disclosed
EP-0988341-B1 FILLED ELASTOMERIC COMPOSITION AND APPARATUS MADE OF SAME MINNESOTA MINING & MFG (US) 2006-05-10 EP disclosed
EP-1505104-A1 Foamable compositions comprising benzoic acid isononyl esters Oxeno Olefinchemie GmbH (DE) 2005-02-09 EP disclosed
EP-1060053-B1 A SURFACE TREATING ARTICLE INCLUDING A HUB MINNESOTA MINING & MFG (US) 2003-06-25 EP disclosed
EP-1060053-A1 A SURFACE TREATING ARTICLE INCLUDING A HUB MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2000-12-20 EP disclosed
US-6136143-A Surface treating article including a hub 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-10-24 US disclosed
EP-0988341-A1 FILLED ELASTOMERIC COMPOSITION AND APPARATUS MADE OF SAME MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2000-03-29 EP disclosed
WO-1999042251-A1 A SURFACE TREATING ARTICLE INCLUDING A HUB MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-08-26 WO disclosed
US-5879504-A DECAL, PAINT, ADHESIVE REMOVING ELASTOMERIC DISK CONTAINING LUBRICANT AND PARTICLES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-03-09 US disclosed
WO-1998055545-A1 FILLED ELASTOMERIC COMPOSITION AND APPARATUS MADE OF SAME MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-12-10 WO disclosed