SCHEMBL8973763

SCHEMBL8973763

COC(=O)C1(C(=O)OC)C=C(c2ccc(C(F)(F)F)cc2)C(c2ccc(S(N)(=O)=O)nc2)=C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
KIF11 P52732 8/20 0.39
PPARD Q03181 3/20 0.37
GPR119 Q8TDV5 4/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MAPT P10636 1/20 0.36
CA9 Q16790 1/20 0.36
KIT P10721 1/20 0.36
CHRNA7 P36544 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35

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
SCHEMBL8973759 0.91 POLB (0.41) POLBKIF11PPARDGPR119MMP1
SCHEMBL8973844 0.88 KIF11 (0.40) POLBKIF11PPARDCA12CA1
SCHEMBL8974231 0.87 CA9 (0.46) POLBCA12CA1CA2CA9
SCHEMBL9117838 0.84 KIF11 (0.43) POLBKIF11CA12CA1CA2
SCHEMBL8973781 0.83 KIF11 (0.59) KIF11CA12CA1CA2MAPT
SCHEMBL8974153 0.82 KIF11 (0.40) POLBKIF11PPARDCA12CA1
SCHEMBL9131829 0.82 KIF11 (0.43) POLBKIF11CA12CA1CA2
SCHEMBL8973783 0.81 KIF11 (0.40) POLBKIF11CA12CA1CA2
SCHEMBL8974753 0.81 KIF11 (0.40) POLBKIF11PPARDCA12CA1
SCHEMBL8973691 0.81 CA1 (0.43) KIF11CA12CA1CA2CA9

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
US-5576339-A Pyridyl substituted cyclopentadienes for the treatment of inflamation HUANG HORNG-CHIH (US) 1996-11-19 US disclosed
US-5418254-A Side effect reduction G. D. SEARLE & CO. (US) 1995-05-23 US disclosed