SCHEMBL8889154

SCHEMBL8889154

Cc1oc2ccc(O)cc2c(=O)c1Cc1cccc(NS(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACP1 P24666 1/20 0.41
▸ MAP2K1 Q02750 14/20 0.38
▸ RAF1 P04049 13/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HSD17B3 P37058 2/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ AR P10275 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ERAP1 Q9NZ08 1/20 0.37
▸ CA2 P00918 1/20 0.37

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
SCHEMBL8889871 0.87 MAP2K1 (0.42) MAP2K1RAF1CYP3A4CYP2C9KDM4E
SCHEMBL8624288 0.70 HSPD1 (0.39) ACP1
SCHEMBL9200704 0.68 CA2 (0.61) KDM4ECA2
SCHEMBL963348 0.67 MAP2K1 (0.70) MAP2K1RAF1CYP3A4CYP2C9HSD17B3
SCHEMBL19567186 0.67 PTGS1 (0.63) CA2
SCHEMBL8617759 0.66 HSPD1 (0.37) CYP3A4
SCHEMBL23514767 0.65 CA2 (0.54) CYP3A4CA2
SCHEMBL20782066 0.65 CA2 (0.54) CYP3A4CA2
SCHEMBL21986566 0.65 CA2 (0.56) CYP3A4CA2
SCHEMBL31680271 0.65 CA2 (0.56) CYP3A4CA2

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-5641789-A INHIBITORS OF LEUKOTRIENES AND/OR BLOCKERS OF LEUKOTRIENE RECEPTORS; USEFUL IN PREVENTION OR TREATMENT OF ASTHMA, ARTHRITIS, PSORIASIS, ULCERS, MYOCARDIAL INFARCTION PFIZER INC. (US) 1997-06-24 — — US disclosed
Send feedback