SCHEMBL28073272

SCHEMBL28073272

Nc1ccc(-c2c(C(=O)O)cccc2C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP7 P55210 2/20 0.48
G6PD P11413 1/20 0.48
CASP6 P55212 1/20 0.48
MMP2 P08253 1/20 0.48
MCL1 Q07820 2/20 0.47
ALDH1A1 P00352 6/20 0.46
ALOX15 P16050 2/20 0.46
HNF4A P41235 1/20 0.46
KMT2A Q03164 4/20 0.45
KDM4E B2RXH2 3/20 0.45
GFER P55789 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
CYP3A4 P08684 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
HSD17B10 Q99714 2/20 0.44
TAAR1 Q96RJ0 1/20 0.44
MAPT P10636 4/20 0.44
MYC P01106 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL707849 0.90 MMP2 (0.53) CASP7G6PDCASP6MMP2MCL1
SCHEMBL9405319 0.89 HNF4A (0.53) CASP7G6PDCASP6MMP2MCL1
SCHEMBL3399030 0.87 ALDH1A1 (0.52) CASP7MCL1ALDH1A1ALOX15HNF4A
SCHEMBL27454418 0.87 ALDH1A1 (0.49) ALDH1A1ALOX15KMT2AKDM4EHSD17B10
SCHEMBL8422568 0.86 CYP3A4 (0.54) CASP7MCL1ALDH1A1ALOX15HNF4A
SCHEMBL8590613 0.86 HNF4A (0.59) CASP7G6PDCASP6MMP2MCL1
SCHEMBL6865209 0.84 F2 (0.41) CASP7G6PDCASP6MMP2MCL1
SCHEMBL9746985 0.83 PARP1 (0.51) ALDH1A1KDM4ECYP3A4TDP1HSD17B10
SCHEMBL17744792 0.83 MMP2 (0.59) CASP7G6PDCASP6MMP2MCL1
SCHEMBL29568880 0.83 MMP2 (0.59) CASP7G6PDCASP6MMP2MCL1

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-103052680-B Resin combination, liquid crystal aligning material and phase difference material NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-05-25 CN disclosed