SCHEMBL2569649

SCHEMBL2569649

Nc1cc(-c2ccccc2OC(F)F)ccc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.49
PPM1B O75688 1/20 0.44
MCL1 Q07820 3/20 0.42
TAS2R14 Q9NYV8 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
THRB P10828 2/20 0.40
MAPK1 P28482 2/20 0.40
ACMSD Q8TDX5 1/20 0.40
USP2 O75604 1/20 0.40
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
IDO1 P14902 1/20 0.40
PRF1 P14222 1/20 0.39

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
SCHEMBL1316691 0.83 DRD1 (0.43) DRD1POLBFEN1ALOX5AP
SCHEMBL13205873 0.82 DHODH (0.54) PPM1BMCL1KDM4EALDH1A1HPGD
SCHEMBL29655043 0.81 DRD1 (0.54) DRD1KDM4EALDH1A1KMT2AMEN1
SCHEMBL27847097 0.81 DRD1 (0.41) DRD1KDM4EALDH1A1HSD17B10POLB
SCHEMBL15127670 0.80 EIF4E (0.48) DRD1MCL1TAS2R14ALDH1A1HSD17B10
SCHEMBL13522904 0.78 PPM1B (0.56) PPM1BMCL1KDM4EALDH1A1HPGD
SCHEMBL17744804 0.78 PPM1B (0.56) PPM1BMCL1KDM4EALDH1A1HPGD
SCHEMBL148241 0.77 ACMSD (0.65) PPM1BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL30611811 0.77 ACMSD (0.65) PPM1BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL17744853 0.75 ESR1 (0.46) PPM1BMCL1KDM4EALDH1A1HSD17B10

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-2385036-A1 N-ACYL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF Toyama Chemical Co., Ltd. (JP) 2011-11-09 EP disclosed