SCHEMBL27920110

SCHEMBL27920110

CC(C)CCOc1ccc(C#N)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 6/20 0.43
▸ FFAR1 O14842 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ AR P10275 2/20 0.39
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38

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
SCHEMBL2636175 0.84 ALDH1A1 (0.42) XDHFFAR1AR
SCHEMBL10760645 0.83 HPGD (0.41) FFAR1TDP1AR
SCHEMBL3734536 0.82 AR (0.48) XDHFFAR1TDP1AR
SCHEMBL2037172 0.81 HPGD (0.43) FFAR1TDP1AR
SCHEMBL27938601 0.80 HPGD (0.48) TDP1
SCHEMBL3113533 0.80 S1PR1 (0.40) FFAR1TDP1AR
SCHEMBL10730804 0.80 F2 (0.41) FFAR1TDP1AR
SCHEMBL944720 0.79 TRPV4 (0.53) FFAR1TDP1AR
SCHEMBL12221683 0.79 L3MBTL1 (0.43) FFAR1TDP1AR
SCHEMBL6246819 0.78 F2 (0.43) FFAR1TDP1AR

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
CN-103333134-A 2-(3-cyano-4-alkoxy) phenyl-4-substituted thiazole-5-formic acid compound, composition as well as preparation methods and applications thereof UNIV SHENYANG PHARMACEUTICAL 2013-10-02 — — CN disclosed
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