SCHEMBL11224864

SCHEMBL11224864

CCOC(=O)C=C(C)NC(=O)OCc1cccc(C)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
GAA P10253 1/20 0.44
MAOB P27338 2/20 0.43
POLB P06746 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP12 P39900 1/20 0.43
IDO1 P14902 2/20 0.40
HSP90AA1 P07900 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
FFAR1 O14842 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL11224861 1.00 KMT2A (0.45) KMT2AMEN1GAAMAOBPOLB
SCHEMBL11227783 0.88 HCAR2 (0.50) KMT2AMEN1GAAMAOBMMP2
SCHEMBL11227785 0.88 HCAR2 (0.50) KMT2AMEN1GAAMAOBMMP2
SCHEMBL11227945 0.88 HCAR2 (0.50) KMT2AMAOBMMP2MMP9MMP12
SCHEMBL11227943 0.88 HCAR2 (0.50) KMT2AMAOBMMP2MMP9MMP12
SCHEMBL11225560 0.87 NPC1 (0.49) GAAPOLBNPC1RAB9AALDH1A1
SCHEMBL11225544 0.87 NPC1 (0.49) GAAPOLBNPC1RAB9AALDH1A1
SCHEMBL11221455 0.85 KMT2A (0.51) KMT2AMAOBPOLBMMP12IDO1
SCHEMBL11221450 0.85 KMT2A (0.51) KMT2AMAOBPOLBMMP12IDO1
SCHEMBL11228721 0.82 RXFP1 (0.39) KMT2AMEN1POLBNPC1RAB9A

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
US-4358606-A Esters of phenalkyloxycarbonylamino acids ZOECON CORPORATION (US) 1982-11-09 US disclosed