SCHEMBL28050813

SCHEMBL28050813

O=C(COc1ccccc1)Oc1ccc(C(=O)O)cc1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.66
MEN1 O00255 1/20 0.59
ALDH1A1 P00352 1/20 0.59
HPGD P15428 1/20 0.59
KMT2A Q03164 1/20 0.59
PLA2G4B P0C869 4/20 0.58
NR4A2 P43354 2/20 0.57
NR4A1 P22736 1/20 0.57
NR4A3 Q92570 1/20 0.57
ALOX15 P16050 1/20 0.53
SRD5A2 P31213 3/20 0.53
GAA P10253 2/20 0.53
LMNA P02545 1/20 0.53
ELANE P08246 1/20 0.50

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
SCHEMBL472034 0.89 ALOX15 (0.65) MEN1ALDH1A1HPGDKMT2AALOX15
SCHEMBL10784303 0.84 MAPT (0.64) MEN1ALDH1A1HPGDKMT2AALOX15
SCHEMBL28050897 0.84 KMT2A (0.54) PKMMEN1ALDH1A1HPGDKMT2A
SCHEMBL10199128 0.83 GAA (0.76) MEN1ALDH1A1HPGDKMT2AALOX15
SCHEMBL10595768 0.83 L3MBTL1 (0.58) MEN1ALDH1A1HPGDKMT2AALOX15
SCHEMBL24844739 0.83 GAA (0.76) MEN1ALDH1A1HPGDKMT2AALOX15
SCHEMBL10597791 0.83 GAA (0.76) MEN1ALDH1A1HPGDKMT2AALOX15
SCHEMBL16358912 0.83 ALOX15 (0.53) MEN1ALDH1A1HPGDKMT2AALOX15
SCHEMBL9327172 0.82 PLA2G4B (0.61) PKMPLA2G4BNR4A2NR4A1NR4A3
SCHEMBL24533736 0.82 ALOX15 (0.61) MEN1ALDH1A1HPGDKMT2AALOX15

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-105175790-A Cellulose acylate film SK INNOVATION CO LTD 2015-12-23 CN disclosed