SCHEMBL27938680

SCHEMBL27938680

CCC(C)Oc1ccc(C#N)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 6/20 0.43
FFAR1 O14842 1/20 0.41
XDH P47989 1/20 0.36
ICMT O60725 2/20 0.35
TRPV4 Q9HBA0 1/20 0.35
ESRRA P11474 1/20 0.35

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
SCHEMBL1963234 0.83 NR3C1 (0.42) NR3C1FFAR1XDHESRRA
SCHEMBL3751204 0.81 AR (0.49) NR3C1FFAR1ICMTTRPV4
SCHEMBL31432137 0.78 TRPV4 (0.38) ICMTTRPV4
SCHEMBL27642753 0.78 CTSS (0.44) TRPV4ESRRA
SCHEMBL3495657 0.78 CTSS (0.44) TRPV4ESRRA
SCHEMBL12619038 0.77 NR3C1 (0.45) NR3C1FFAR1
SCHEMBL29408152 0.77 NR3C1 (0.39) NR3C1FFAR1ESRRA
SCHEMBL22658071 0.77 NR3C1 (0.39) NR3C1FFAR1ESRRA
SCHEMBL944720 0.77 TRPV4 (0.53) FFAR1TRPV4
SCHEMBL1303516 0.77 NR3C1 (0.39) NR3C1FFAR1TRPV4ESRRA

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