SCHEMBL4746689

SCHEMBL4746689

Cc1cccc(C=O)c1OCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.57
KMT2A Q03164 4/20 0.49
CD69 Q07108 3/20 0.47
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MEN1 O00255 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALOX15 P16050 1/20 0.42
LMNA P02545 1/20 0.41
FFAR1 O14842 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGER1 P34995 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41

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
SCHEMBL830740 0.84 KMT2A (0.60) KMT2ACD69ALDH1A1MEN1NPC1
SCHEMBL14042113 0.83 PTGDR2 (0.55) PTGDR2KMT2ACD69CA1CA2
SCHEMBL2554736 0.81 PTGDR2 (0.62) PTGDR2KMT2ACD69CA1CA2
SCHEMBL23111641 0.81 PTGDR2 (0.57) PTGDR2KMT2ACD69ALDH1A1TSHR
SCHEMBL2561402 0.81 PTGDR2 (0.57) PTGDR2KMT2ACD69ALDH1A1TSHR
SCHEMBL18095828 0.81 KMT2A (0.72) PTGDR2KMT2ACD69CA1CA2
SCHEMBL9248575 0.80 PTGDR2 (0.60) PTGDR2KMT2ACD69ALDH1A1CA1
SCHEMBL1253501 0.80 ALDH1A1 (0.50) KMT2AALDH1A1TSHRCA1CA2
SCHEMBL10550574 0.79 PTGDR2 (0.51) PTGDR2KMT2ACD69ALDH1A1TSHR
SCHEMBL9219398 0.78 PTGDR2 (0.58) PTGDR2KMT2ACD69KDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008121602-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-09 WO disclosed
WO-2008121602-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-09 WO disclosed
WO-2008117982-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR INHIBITING LIPID ACCUMULATION CONTAINING SAME CRYSTAL GENOMICS, INC. (KR) 2008-10-02 WO disclosed
US-7005440-B1 Therapeutic uses of tri-aryl acid derivatives AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2006-02-28 US disclosed
EP-1177176-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS Aventis Pharma Deutschland GmbH (DE) 2002-02-06 EP disclosed
WO-2000064876-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-02 WO disclosed