SCHEMBL8973752

SCHEMBL8973752

CCC1(CC)C=C(c2ccc(C(F)(F)F)cc2)C(c2ccc(S(N)(=O)=O)cn2)=C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.47
PTGS2 P35354 6/20 0.41
PTGS1 P23219 3/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
ALOX5AP P20292 3/20 0.39
FEN1 P39748 3/20 0.39
CHRNA7 P36544 2/20 0.39
CYP2C9 P11712 1/20 0.38
PDPK1 O15530 1/20 0.37
OPRD1 P41143 1/20 0.37
P2RY14 Q15391 1/20 0.37
SLC6A4 P31645 1/20 0.36
GCK P35557 1/20 0.36
GCKR Q14397 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
SCHEMBL9118758 0.93 KIF11 (0.47) KIF11PTGS2PTGS1ALOX5APFEN1
SCHEMBL8974310 0.90 PTGS2 (0.42) PTGS2PTGS1ALOX5APFEN1
SCHEMBL8974509 0.90 KIF11 (0.48) KIF11PTGS2PTGS1KDM4EGAA
SCHEMBL8974676 0.89 KIF11 (0.47) KIF11PTGS2PTGS1KDM4EGAA
SCHEMBL8973796 0.87 KIF11 (0.50) KIF11PTGS2PTGS1KDM4EGAA
SCHEMBL8974702 0.87 PTGS2 (0.43) PTGS2PTGS1CHRNA7
SCHEMBL8973751 0.87 KIF11 (0.52) KIF11PTGS2PTGS1KDM4EGAA
SCHEMBL8974424 0.87 KIF11 (0.62) KIF11PTGS2PTGS1CHRNA7CYP2C9
SCHEMBL8974136 0.85 PTGS2 (0.47) KIF11PTGS2PTGS1
SCHEMBL8974399 0.85 KIF11 (0.50) KIF11PTGS2PTGS1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5576339-A Pyridyl substituted cyclopentadienes for the treatment of inflamation HUANG HORNG-CHIH (US) 1996-11-19 US disclosed
WO-1995030656-A1 SUBSTITUTED CYCLOPENTADIENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-11-16 WO disclosed
US-5418254-A Side effect reduction G. D. SEARLE & CO. (US) 1995-05-23 US disclosed