SCHEMBL8471671

SCHEMBL8471671

COc1c(F)ccc(CCl)c1F

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 2/20 0.48
ROCK2 O75116 2/20 0.34
ROCK1 Q13464 1/20 0.34
MAPT P10636 1/20 0.33
CYP19A1 P11511 1/20 0.33
PDCD1LG2 Q9BQ51 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
NPBWR1 P48145 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GFER P55789 1/20 0.30

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
SCHEMBL31574688 0.86 MEP1B (0.39) MEP1BMAPTPDCD1LG2CD274NPBWR1
SCHEMBL6353960 0.82 AOC3 (0.41) MEP1BMAPTALDH1A1
SCHEMBL14203437 0.82 MEP1B (0.53) MEP1BROCK2ROCK1CYP19A1ALDH1A1
SCHEMBL30937199 0.81 ALOX5AP (0.42) MEP1B
SCHEMBL29255536 0.81 MEP1B (0.35) MEP1B
SCHEMBL8470910 0.80 MEP1B (0.51) MEP1BROCK2ROCK1MAPTCYP19A1
SCHEMBL29673225 0.80 MEP1B (0.48) MEP1BROCK2ROCK1MAPTCYP19A1
SCHEMBL4592694 0.80 MEP1B (0.51) MEP1BROCK2ROCK1MAPTCYP19A1
SCHEMBL8274219 0.80 MEP1B (0.48) MEP1BROCK2ROCK1MAPTCYP19A1
SCHEMBL19251350 0.80 MEP1B (0.48) MEP1BROCK2ROCK1MAPTCYP19A1

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-5886016-A ANTIINFLAMMATORY AGENT WITH MINIMAL SIDE EFFECTS FOR TREATING ARTHRITIS G.D. SEARLE & CO. (US) 1999-03-23 US disclosed
WO-1996009304-A1 BENZOPYRANOPYRAZOLYL DERIVATIVES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-28 WO disclosed