SCHEMBL16681978

SCHEMBL16681978

C=C(C)c1cccc(S(=O)(=O)NC(=O)N[C@@H](Cc2ccccc2)C(=O)N(CC)c2ccc(OC)cc2)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.40
KMT2A Q03164 1/20 0.39
PTPRB P23467 1/20 0.38
USP30 Q70CQ3 2/20 0.38
MMP9 P14780 4/20 0.37
MMP2 P08253 3/20 0.37
BMP1 P13497 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
KEAP1 Q14145 1/20 0.36
MMP1 P03956 2/20 0.35
MMP3 P08254 1/20 0.35
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
MMP8 P22894 1/20 0.35
GAA P10253 1/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL16670365 0.88 POLB (0.43) FPR2KMT2APTPRBUSP30MMP9
SCHEMBL16670362 0.88 POLB (0.43) FPR2KMT2APTPRBUSP30MMP9
SCHEMBL28119863 0.88 FPR2 (0.45) FPR2KMT2APTPRBUSP30MMP9
SCHEMBL18041084 0.87 FPR2 (0.44) FPR2KMT2APTPRBUSP30MMP9
SCHEMBL16670347 0.87 FPR2 (0.44) FPR2KMT2APTPRBUSP30MMP9
SCHEMBL16670307 0.87 FPR2 (0.45) FPR2KMT2APTPRBUSP30MMP9
SCHEMBL16670305 0.87 FPR2 (0.45) FPR2KMT2APTPRBUSP30MMP9
SCHEMBL16670821 0.84 USP30 (0.45) FPR2KMT2APTPRBUSP30MMP9
SCHEMBL18041083 0.84 USP30 (0.45) FPR2KMT2APTPRBUSP30MMP9
SCHEMBL16670530 0.84 POLB (0.51) FPR2KMT2APTPRBUSP30MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015061518-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-30 WO disclosed