SCHEMBL20178657

SCHEMBL20178657

NC(=O)c1ccccc1C(O)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.47
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47
CYP1A2 P05177 1/20 0.46
SRR Q9GZT4 2/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
ADRA1D P25100 1/20 0.43
BCAT2 O15382 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL8522489 0.82 ALPI (0.45) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL8521596 0.82 EPHX1 (0.45) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL5685798 0.81 EPHX1 (0.44) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL11503111 0.80 KDM4E (0.44) PKMBCAT2KDM4EALDH1A1MAPT
SCHEMBL28014016 0.76 CYP3A4 (0.49) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL16964227 0.76 KDM4E (0.40) BCAT2KDM4EALDH1A1MAPTHPGD
SCHEMBL5134567 0.75 KDM4E (0.50) BCAT2KDM4EALDH1A1MAPTHPGD
SCHEMBL28394197 0.75 LAP3 (0.47) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL21616526 0.75 LAP3 (0.40) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL4192923 0.74 BCAT2 (0.46) BCAT2KDM4EALDH1A1MAPTHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981030-B2 Glycan conjugates and use thereof ACADEMIA SINICA (TW) 2018-05-29 US disclosed
CN-101918389-A Histone deacetylase inhibitors METHYLGENE INC 2010-12-15 CN disclosed