SCHEMBL4946934

SCHEMBL4946934

Brc1ccc(CCc2ccccc2Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.54
HTR2A P28223 1/20 0.46
IDO1 P14902 2/20 0.42
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
CXCR3 P49682 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
GPR52 Q9Y2T5 2/20 0.38
PDPK1 O15530 1/20 0.38
PTGES2 Q9H7Z7 1/20 0.37

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
SCHEMBL5286289 0.86 TAAR1 (0.58) TAAR1HTR2AIDO1FFAR1FFAR4
SCHEMBL30364680 0.86 TAAR1 (0.58) TAAR1HTR2AIDO1FFAR1FFAR4
SCHEMBL6738136 0.83 TAAR1 (0.71) TAAR1IDO1GPR52
SCHEMBL29351396 0.83 TAAR1 (0.71) TAAR1IDO1GPR52
SCHEMBL11781929 0.81 TAAR1 (0.45) TAAR1HTR2AFFAR1FFAR4CXCR3
SCHEMBL2099265 0.79 TAAR1 (0.50) TAAR1HTR2AIDO1FFAR1FFAR4
SCHEMBL11780254 0.79 TAAR1 (0.65) TAAR1HTR2AIDO1
SCHEMBL11782450 0.79 TAAR1 (0.43) TAAR1HTR2AFFAR1FFAR4GPR52
SCHEMBL11780482 0.79 TAAR1 (0.54) TAAR1HTR2AIDO1CXCR3GPR52
SCHEMBL1772877 0.79 TAAR1 (0.56) TAAR1HTR2AFFAR1

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
US-7449539-B2 Silsesquioxane derivative and production process for the same CHISSO CORPORATION (JP) 2008-11-11 US disclosed