SCHEMBL8993689

SCHEMBL8993689

CSc1cccc(C2=C(c3ccc(CO)cc3)CCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.50
PTGER1 P34995 3/20 0.43
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
PDCD1 Q15116 4/20 0.37
CD274 Q9NZQ7 4/20 0.37
IDO1 P14902 1/20 0.35
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33

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
SCHEMBL8653103 0.85 PTGS2 (0.58) PTGS2PTGER1
SCHEMBL21769972 0.83 MKNK1 (0.43) PTGS2PDCD1CD274IDO1MKNK1
SCHEMBL8654013 0.71 PTGS2 (0.62) PTGS2PTGER1
SCHEMBL29899606 0.70 ENPP2 (0.45)
SCHEMBL95655 0.70 ENPP2 (0.45)
SCHEMBL27587389 0.69 PTGS2 (0.55) PTGS2PTGER1
SCHEMBL21363123 0.68 BCL2 (0.44) PTGS2IDO1
SCHEMBL8993500 0.68 PTGS2 (0.74) PTGS2
SCHEMBL8655486 0.67 PTGS2 (1.00) PTGS2
SCHEMBL564610 0.66 SLC6A4 (0.52)

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 disclosed
WO-1995011883-A1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-05-04 WO disclosed