SCHEMBL25449242

SCHEMBL25449242

Cc1ccc(-c2cc(=O)c3c(C)cccc3o2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 12/20 0.73
▸ ADORA3 P0DMS8 1/20 0.66
▸ MAOB P27338 2/20 0.65
▸ TNKS O95271 1/20 0.65
▸ PARP1 P09874 1/20 0.65
▸ TNKS2 Q9H2K2 1/20 0.65
▸ PARP2 Q9UGN5 1/20 0.65
▸ CCNC P24863 1/20 0.57
▸ CDK8 P49336 1/20 0.57
▸ CYP3A4 P08684 4/20 0.55
▸ MAPT P10636 4/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ HPGD P15428 2/20 0.55
▸ RAF1 P04049 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ TP53 P04637 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.53
▸ CYP1A1 P04798 1/20 0.53

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
SCHEMBL31303695 0.89 CYP3A4 (0.67) ARADORA3MAOBTNKSPARP1
SCHEMBL9138573 0.89 CYP3A4 (0.67) ARADORA3MAOBTNKSPARP1
SCHEMBL1645772 0.84 AR (0.54) ARADORA3CYP3A4MAPTMEN1
SCHEMBL12636899 0.84 AR (1.00) ARMAOBTNKSPARP1TNKS2
SCHEMBL12378900 0.82 MAPT (0.76) ARMAOBTNKSPARP1TNKS2
SCHEMBL9137273 0.82 AR (0.80) ARADORA3MAOBTNKSPARP1
SCHEMBL31060888 0.79 ADORA3 (1.00) ARADORA3MAOBTNKSPARP1
SCHEMBL7593917 0.79 TNKS (1.00) ARADORA3MAOBTNKSPARP1
SCHEMBL16521506 0.77 ADORA3 (0.69) ARADORA3MAOBTNKSPARP1
SCHEMBL7606268 0.77 PTGS2 (0.61) ARADORA3MAOBTNKSPARP1

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
WO-2023079362-A1 PROCESSABLE COMPOSITIONS AND USE FOR THE SAME RIPPLE THERAPEUTICS CORPORATION (CA) 2023-05-11 — — WO disclosed
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