SCHEMBL7772191

SCHEMBL7772191

C[C@@H](NC(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C)C(=O)NSC(C1CCCCC1)C1CCN(C(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.41
HSD17B10 Q99714 1/20 0.40
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
POLB P06746 2/20 0.37
ATM Q13315 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
RAB9A P51151 1/20 0.36
MC4R P32245 1/20 0.35
MC5R P33032 1/20 0.35
MMP13 P45452 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
PTPN1 P18031 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
SCHEMBL7770775 0.92 EPHX2 (0.44) EPHX2HSD17B10ABL1RIN1POLB
SCHEMBL7105883 0.84 HSD17B10 (0.45) HSD17B10POLBATMMAPTKMT2A
SCHEMBL6705786 0.82 CYP2C19 (0.45) HSD17B10ATMALDH1A1GPR119
SCHEMBL7774527 0.80 MEN1 (0.43) HSD17B10ATMKMT2AMEN1ALDH1A1
SCHEMBL5117829 0.78 CACNA1B (0.47) EPHX2HSD17B10ABL1RIN1ATM
SCHEMBL5117831 0.77 EPHX2 (0.43) EPHX2HSD17B10ABL1RIN1POLB
SCHEMBL7110901 0.74 MEN1 (0.43) HSD17B10ATMKMT2AMEN1ALDH1A1
SCHEMBL7105591 0.74 MEN1 (0.43) HSD17B10ATMKMT2AMEN1ALDH1A1
SCHEMBL7110470 0.74 MEN1 (0.43) HSD17B10ATMKMT2AMEN1ALDH1A1
SCHEMBL7105221 0.73 ATM (0.39) HSD17B10POLBATMKMT2AMEN1

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-1090912-A1 AMINO ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-04-11 EP disclosed