SCHEMBL8061008

SCHEMBL8061008

CC(C)[C@@H](C(N)=O)N(C(=O)Oc1ccccc1)C(C)c1ccco1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
TSHR P16473 3/20 0.37
CYP2C19 P33261 2/20 0.37
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
POLB P06746 3/20 0.35
HSD17B10 Q99714 2/20 0.35
NPY5R Q15761 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 2/20 0.34
PKM P14618 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN7 P35236 1/20 0.34
BLM P54132 1/20 0.34

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
SCHEMBL8895475 0.76 ALOX5 (0.44) ALOX5TSHRCYP2C19L3MBTL1ATM
SCHEMBL8896909 0.75 ALOX5 (0.54) ALOX5L3MBTL1HSD17B10ALDH1A1KDM4E
SCHEMBL8772026 0.73 MTNR1A (0.40) TSHRL3MBTL1ATMTDP1HSD17B10
SCHEMBL29025476 0.69 ATM (0.55) L3MBTL1ATMTDP1NPSR1NPY5R
SCHEMBL8074911 0.69 PPARA (0.43) ALOX5ALDH1A1KDM4EKMT2AHPGD
SCHEMBL8771901 0.68 MMP2 (0.45) ALOX5ALDH1A1HPGD
SCHEMBL8771937 0.68 TDP1 (0.38) L3MBTL1ATMTDP1NPY5RALDH1A1
SCHEMBL8771829 0.68 PSMB5 (0.40) ALDH1A1KMT2A
SCHEMBL8771750 0.68 EPHX1 (0.44) ALOX5CYP2C19ALDH1A1TRPM8
SCHEMBL21802403 0.66 NPY5R (0.54) CYP2C19L3MBTL1ATMTDP1NPSR1

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
EP-0775696-B1 AMINO ACID AMIDE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AGROHORTICULTURAL FUNGICIDE, AND FUNGICIDAL METHOD KUMIAI CHEMICAL INDUSTRY CO (JP) 2000-07-19 EP disclosed
EP-0775696-A1 AMINO ACID AMIDE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AGROHORTICULTURAL FUNGICIDE, AND FUNGICIDAL METHOD KumaiI Chemical Industry Co., Ltd. (JP) 1997-05-28 EP disclosed