SCHEMBL15949003

SCHEMBL15949003

Cc1cc(Cl)ccc1C(C/C(=N\O)c1ccc(=O)[nH]c1C)c1ccc(-c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.48
TNKS2 Q9H2K2 1/20 0.34
EZH2 Q15910 1/20 0.33
SRD5A2 P31213 2/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
CHEK2 O96017 1/20 0.32
PPARG P37231 1/20 0.32
ADRB1 P08588 3/20 0.32
ADRB3 P13945 3/20 0.32
PRKCZ Q05513 2/20 0.32
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
POLB P06746 1/20 0.31
MAP2K4 P45985 1/20 0.31

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
SCHEMBL365164 0.87 GPBAR1 (0.37) GPBAR1TNKS2POLB
SCHEMBL15949284 0.87 GPBAR1 (0.60) GPBAR1EZH2RXRARXRBCHEK2
SCHEMBL15949291 0.81 PTGS2 (0.34) GPBAR1ADRB1ADRB3
SCHEMBL363178 0.81 GPBAR1 (0.51) GPBAR1SRD5A2RXRARXRBPPARG
SCHEMBL10241335 0.79 GPBAR1 (0.51) GPBAR1SRD5A2RXRARXRBPPARG
SCHEMBL10241339 0.79 GPBAR1 (0.51) GPBAR1SRD5A2RXRARXRBPPARG
SCHEMBL1390130 0.79 GPBAR1 (0.51) GPBAR1SRD5A2RXRARXRBPPARG
SCHEMBL369931 0.79 GPBAR1 (0.51) GPBAR1SRD5A2RXRARXRBPPARG
SCHEMBL369930 0.79 GPBAR1 (0.51) GPBAR1SRD5A2RXRARXRBPPARG
SCHEMBL363135 0.78 GPBAR1 (0.78) GPBAR1SRD5A2RXRARXRB

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
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP claimed