SCHEMBL8985377

SCHEMBL8985377

CN(C)C(=O)c1cc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccccc2F)s1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.46
HPGD P15428 2/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTGS1 P23219 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MT-CO1 P00395 1/20 0.44
MT-CO2 P00403 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SCD O00767 1/20 0.41
FADS1 O60427 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL8985408 0.85 PTGS2 (0.52) PTGS2HPGDNPC1SMN1; SMN2PTGS1
SCHEMBL8985483 0.85 PTGS2 (0.48) PTGS2HPGDPTGS1KDM4EMT-CO1
SCHEMBL8985290 0.85 PTGS2 (0.63) PTGS2HPGDPTGS1KDM4EMT-CO1
SCHEMBL8985457 0.85 PTGS2 (0.63) PTGS2HPGDPTGS1KDM4EMT-CO1
SCHEMBL8985265 0.83 SMN1; SMN2 (0.45) HPGDNPC1SMN1; SMN2PTGS1NPSR1
SCHEMBL8985509 0.80 PTGS2 (0.49) PTGS2HPGDNPC1SMN1; SMN2PTGS1
SCHEMBL4024601 0.78 PTGS2 (0.70) PTGS2HPGDPTGS1KDM4EMT-CO1
SCHEMBL8985446 0.78 OPRD1 (0.58) PTGS2HPGDPTGS1KDM4EMT-CO1
SCHEMBL8985518 0.77 PTGS2 (0.64) PTGS2HPGDPTGS1KDM4EMT-CO1
SCHEMBL9206986 0.74 PTGS2 (0.73) PTGS2PTGS1SCDFADS1

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
US-5571810-A ANTIINFLAMMATORY AGENTS, ANALGESICS, COLLAGEN DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-05 US disclosed