SCHEMBL8993654

SCHEMBL8993654

OCc1nccc(C2=CCCC2)c1CO

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 2/20 0.36
GRM2 Q14416 1/20 0.35
KDR P35968 2/20 0.34
CCNE1 P24864 2/20 0.33
CDK2 P24941 2/20 0.33
ACACB O00763 3/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PSMB5 P28074 1/20 0.30

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
SCHEMBL8993493 0.81 ALDH1A1 (0.46) F2RL1GRM2KDRCCNE1CDK2
SCHEMBL8993437 0.67 F2RL1 (0.40) F2RL1GRM2KDRCCNE1CDK2
SCHEMBL8595993 0.65 KDM4E (0.40) ALDH1A1L3MBTL1
SCHEMBL8993449 0.64 PTGS2 (0.45) GRM2CCNE1CDK2PSMB5
SCHEMBL24322146 0.64 KDR (0.35) F2RL1GRM2KDRCCNE1CDK2
SCHEMBL8993495 0.64 PIM1 (0.37) F2RL1GRM2ALDH1A1L3MBTL1
SCHEMBL29118646 0.64 ALDH1A1 (0.33) ALDH1A1L3MBTL1
SCHEMBL23857046 0.63 NOS2 (0.44) ALDH1A1L3MBTL1
SCHEMBL24322334 0.62 AXL (0.34) F2RL1GRM2KDRCCNE1CDK2
SCHEMBL22920105 0.62 LNPEP (0.51) KDRPSMB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0724566-A1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-07 EP claimed
WO-1995011883-A1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-05-04 WO claimed