SCHEMBL8473045

SCHEMBL8473045

O=C1c2ccc(F)cc2OCC1SC(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.41
MAOB P27338 6/20 0.36
DAO P14920 1/20 0.34
RIPK1 Q13546 3/20 0.33
KIF11 P52732 1/20 0.33
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33

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
SCHEMBL8470417 0.86 CYP19A1 (0.50) CYP19A1MAOB
SCHEMBL8472084 0.86 CYP19A1 (0.40) CYP19A1MAOBDAORIPK1LTB4R
SCHEMBL8470385 0.85 CYP19A1 (0.47) CYP19A1MAOB
SCHEMBL8472750 0.83 CYP19A1 (0.53) CYP19A1
SCHEMBL8470905 0.70 CYP19A1 (0.34) CYP19A1
SCHEMBL2172499 0.70 CYP19A1 (0.45) CYP19A1MAOBLTB4RLTB4R2
SCHEMBL28454916 0.68 CYP19A1 (0.39) CYP19A1MAOB
SCHEMBL28454919 0.68 CYP19A1 (0.39) CYP19A1MAOB
SCHEMBL8470357 0.68 CYP19A1 (0.52) CYP19A1MAOBKIF11LTB4RLTB4R2
SCHEMBL28948130 0.64 CYP19A1 (0.40) CYP19A1MAOBLTB4RLTB4R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5886016-A ANTIINFLAMMATORY AGENT WITH MINIMAL SIDE EFFECTS FOR TREATING ARTHRITIS G.D. SEARLE & CO. (US) 1999-03-23 US disclosed
US-5670532-A Pyrazolyl derivatives for the treatment of inflammation G. D. SEARLE & CO. (US) 1997-09-23 US disclosed
US-5565482-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS G.D. SEARLE & CO. (US) 1996-10-15 US disclosed
US-5547975-A ANTIARTHRIC AGENTS, ANALGESICS AND ANTIPYRETICS; INHIBITORS OF CYCLOOXYGENASE II; SIDE EFFECT REDUCTION G.D. SEARLE & CO. 1996-08-20 US disclosed
WO-1996009304-A1 BENZOPYRANOPYRAZOLYL DERIVATIVES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-28 WO disclosed