SCHEMBL11221455

SCHEMBL11221455

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.51
THRB P10828 1/20 0.50
MMP1 P03956 1/20 0.47
MMP12 P39900 1/20 0.47
PRKCA P17252 1/20 0.47
PRKCD Q05655 1/20 0.47
MAOB P27338 3/20 0.46
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TGM2 P21980 1/20 0.43
NR4A2 P43354 2/20 0.42
IDO1 P14902 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41

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
SCHEMBL11221450 1.00 KMT2A (0.51) KMT2APOLBTHRBMMP1MMP12
SCHEMBL11224861 0.85 KMT2A (0.45) KMT2APOLBMMP12MAOBL3MBTL1
SCHEMBL11224864 0.85 KMT2A (0.45) KMT2APOLBMMP12MAOBL3MBTL1
SCHEMBL11228718 0.84 RXFP1 (0.39) KMT2APOLBTHRBMAPTL3MBTL1
SCHEMBL11228721 0.84 RXFP1 (0.39) KMT2APOLBTHRBMAPTL3MBTL1
SCHEMBL11227785 0.83 HCAR2 (0.50) KMT2AMMP1MMP12MAOBMAPT
SCHEMBL11227783 0.83 HCAR2 (0.50) KMT2AMMP1MMP12MAOBMAPT
SCHEMBL11227945 0.83 HCAR2 (0.50) KMT2AMMP1MMP12MAOBMAPT
SCHEMBL11227943 0.83 HCAR2 (0.50) KMT2AMMP1MMP12MAOBMAPT
SCHEMBL11225544 0.82 NPC1 (0.49) POLBMAPTHTTL3MBTL1ALDH1A1

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