SCHEMBL10690936

SCHEMBL10690936

COc1ccc(Cc2ccccc2NC(=O)CO)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
GAA P10253 3/20 0.52
KMT2A Q03164 3/20 0.51
POLB P06746 3/20 0.51
GRK2 P25098 1/20 0.51
PPARG P37231 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
NR2E3 Q9Y5X4 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
RAB9A P51151 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 3/20 0.49
LMNA P02545 1/20 0.49
THRB P10828 1/20 0.49
MEN1 O00255 2/20 0.49
USP2 O75604 1/20 0.49
TSHR P16473 1/20 0.49
PKM P14618 1/20 0.49
SAE1 Q9UBE0 1/20 0.49
UBA2 Q9UBT2 1/20 0.49

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
SCHEMBL10692720 0.88 GAA (0.57) ALDH1A1GAAKMT2APOLBGRK2
SCHEMBL4681910 0.86 ALDH1A1 (0.62) ALDH1A1GAAKMT2APOLBGRK2
SCHEMBL28220176 0.86 ALDH1A1 (0.58) ALDH1A1GAAKMT2APOLBGRK2
SCHEMBL10693527 0.84 SMN1; SMN2 (0.59) ALDH1A1GAAKMT2APOLBGRK2
SCHEMBL10690887 0.84 L3MBTL1 (0.64) ALDH1A1GAAKMT2APOLBRAB9A
SCHEMBL10691682 0.81 NPC1 (0.53) ALDH1A1GAAKMT2ARAB9AL3MBTL1
SCHEMBL10693682 0.81 L3MBTL1 (0.50) ALDH1A1KMT2ARAB9AL3MBTL1MAPT
SCHEMBL7154513 0.76 ALDH1A1 (0.40) ALDH1A1KMT2AL3MBTL1MEN1TSHR
SCHEMBL10692512 0.75 HDAC3 (0.63) ALDH1A1GAAKMT2APOLBGRK2
SCHEMBL28251912 0.75 LTA4H (0.72) KMT2ARAB9AL3MBTL1MAPTMEN1

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-0098743-B1 PHENYL ALPHA-ACYLOXYACETAMIDE DERIVATES AND THEIR THERAPEUTIC USE Yu, Ruey J., Dr. (US) 1988-09-28 EP claimed