SCHEMBL7606268

SCHEMBL7606268

CC(=O)c1cc(C)c2c(=O)cc(-c3ccc(C)cc3)oc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.61
▸ ADORA3 P0DMS8 2/20 0.60
▸ AR P10275 2/20 0.56
▸ CCNC P24863 1/20 0.53
▸ CDK8 P49336 1/20 0.53
▸ CSNK2A2 P19784 5/20 0.50
▸ CSNK2B P67870 5/20 0.50
▸ CSNK2A1 P68400 5/20 0.50
▸ CYP3A4 P08684 3/20 0.50
▸ MAPT P10636 3/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ TP53 P04637 2/20 0.50
▸ MAOB P27338 4/20 0.49
▸ PARP1 P09874 3/20 0.49
▸ TNKS O95271 2/20 0.49
▸ TNKS2 Q9H2K2 2/20 0.49
▸ PARP2 Q9UGN5 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ HPGD P15428 2/20 0.45

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
SCHEMBL25449242 0.77 AR (0.73) ADORA3ARCCNCCDK8CSNK2A2
SCHEMBL16521506 0.76 ADORA3 (0.69) PTGS2ADORA3ARCCNCCDK8
SCHEMBL31060888 0.76 ADORA3 (1.00) PTGS2ADORA3ARCCNCCDK8
SCHEMBL28588026 0.75 CYP3A4 (0.62) ADORA3CSNK2A2CSNK2BCSNK2A1CYP3A4
SCHEMBL14749128 0.74 MAPT (0.73) PTGS2ADORA3ARCDK8CSNK2A2
SCHEMBL12636897 0.73 CYP1B1 (0.81) PTGS2ARCCNCCDK8CSNK2A2
SCHEMBL28568538 0.73 CYP3A4 (0.72) PTGS2ADORA3ARCCNCCDK8
SCHEMBL12636899 0.71 AR (1.00) ARCCNCCDK8CYP3A4MAPT
SCHEMBL13479744 0.71 CSNK2A2 (0.64) ADORA3ARCCNCCDK8CSNK2A2
SCHEMBL20664412 0.71 ADORA3 (0.76) ADORA3CDK8CSNK2A2CSNK2BCSNK2A1

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-6413998-B1 BONE REGENERATION OSTEOSCREEN, INC. 2002-07-02 — — US disclosed
US-6008208-A Compositions and methods for treating bone deficit conditions OSTEOSCREEN, INC. (US) 1999-12-28 — — US disclosed
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