SCHEMBL11322774

SCHEMBL11322774

CCC(CC(=O)O)c1ccc(C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 3/20 0.54
▸ GABBR2 O75899 4/20 0.47
▸ GABBR1 Q9UBS5 4/20 0.47
▸ LMNA P02545 3/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ FNTA P49354 2/20 0.47
▸ FNTB P49356 2/20 0.47
▸ HDAC8 Q9BY41 1/20 0.44

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
SCHEMBL28628025 0.92 FFAR1 (0.59) FFAR1GABBR2GABBR1LMNACYP2C9
SCHEMBL2223571 0.90 FNTA (0.54) FFAR1GABBR2GABBR1LMNACYP2C9
SCHEMBL11333086 0.85 FNTA (0.48) FFAR1GABBR2GABBR1LMNACYP2C9
SCHEMBL29110964 0.85 STAT3 (0.45) FFAR1LMNACYP2C9CYP3A4CYP1A2
SCHEMBL6379988 0.85 FFAR1 (0.57) FFAR1GABBR2GABBR1LMNACYP2C9
SCHEMBL2996427 0.85 FFAR1 (0.61) FFAR1GABBR2GABBR1LMNACYP2C9
SCHEMBL13564512 0.85 FFAR1 (0.57) FFAR1GABBR2GABBR1LMNACYP2C9
SCHEMBL2484805 0.84 GABBR2 (0.66) FFAR1GABBR2GABBR1LMNACYP2C9
SCHEMBL6174106 0.84 GABBR2 (0.66) FFAR1GABBR2GABBR1LMNACYP2C9
SCHEMBL240789 0.84 GABBR2 (0.66) FFAR1GABBR2GABBR1LMNACYP2C9

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
CN-101023062-A Production of alpha, beta-unsaturated esters and acids by stereoselective dehydration JANSSEN PHARMACEUTICA NV (BE) 2007-08-22 — — CN disclosed
US-4273873-A BONDING SYNTHETIC FIBRINOLYTIC COMPOUND OR ENZYME UNITIKA LTD. (JP) 1981-06-16 — — US disclosed
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