SCHEMBL8653103

SCHEMBL8653103

CSc1ccc(C2=C(c3ccc(CO)cc3)CCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.58
HTT P42858 1/20 0.38
SLC6A4 P31645 7/20 0.38
MMP12 P39900 1/20 0.37
MMP13 P45452 1/20 0.37
MAOA P21397 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
PTGER1 P34995 1/20 0.36

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
SCHEMBL8993689 0.85 PTGS2 (0.50) PTGS2PTGER1
SCHEMBL564610 0.81 SLC6A4 (0.52) HTTSLC6A4MAOASLC6A2SLC6A3
SCHEMBL8654013 0.78 PTGS2 (0.62) PTGS2SLC6A4SLC6A2SLC6A3PTGER1
SCHEMBL8654725 0.78 PTGS2 (0.62) PTGS2
SCHEMBL8656566 0.77 PTGS2 (0.60) PTGS2SLC6A2SLC6A3
SCHEMBL8654831 0.77 PTGS2 (0.60) PTGS2PTGER1
SCHEMBL8655486 0.73 PTGS2 (1.00) PTGS2
SCHEMBL8652478 0.73 PTGS2 (0.56) PTGS2
SCHEMBL8653346 0.72 PTGS2 (0.58) PTGS2MAOA
SCHEMBL8654658 0.72 PTGS2 (0.58) PTGS2

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
EP-0724566-B1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 1998-10-07 EP disclosed
US-5663180-A ANTIARTHRITIC, ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1997-09-02 US disclosed
EP-0724566-A1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-07 EP disclosed
US-5420287-A 1,2 diarylcyclopentenyl compounds for the treatment of inflammation G. D. SEARLE & CO. (US) 1995-05-30 US disclosed
WO-1995011883-A1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-05-04 WO disclosed
US-5344991-A Sulfonyl or sulfamyl derivatives for treatment of arthritis and pain G.D. SEARLE & CO. (US) 1994-09-06 US disclosed