SCHEMBL9615855

SCHEMBL9615855

O=C(O)[C@H](Cc1c[nH]cn1)N1C(=O)N[C@@H](Cc2ccccc2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 5/20 0.46
MCL1 Q07820 2/20 0.40
BCL2L1 Q07817 1/20 0.40
PLAU P00749 1/20 0.39
PLAUR Q03405 1/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
PKM P14618 1/20 0.39
PLA2G10 O15496 2/20 0.39
PLA2G5 P39877 2/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ALOX15 P16050 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL18118615 0.84 BCL2 (0.57) BCL2MCL1BCL2L1ALDH1A1GAA
SCHEMBL7291911 0.77 ALOX15 (0.37) ALDH1A1GAAPKMALOX15NPSR1
SCHEMBL7295669 0.77 ROCK2 (0.41) ALDH1A1PKMALOX15POLB
SCHEMBL7302874 0.77 ROCK2 (0.41) ALDH1A1PKMALOX15POLB
SCHEMBL6690700 0.77 HIF1A (0.60) ALDH1A1GAAPKMPOLB
SCHEMBL7303150 0.74 ALDH1A1 (0.38) ALDH1A1PKMALOX15POLB
SCHEMBL3085221 0.72 ALDH1A1 (0.52) ALDH1A1GAAPKMHDAC1HDAC6
SCHEMBL9665668 0.72 HRH3 (0.45) GAAPLA2G10PLA2G5POLB
SCHEMBL9479076 0.72 HRH3 (0.45) GAAPLA2G10PLA2G5POLB
SCHEMBL9666858 0.72 HRH3 (0.45) GAAPLA2G10PLA2G5POLB

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
JP-4164071-A None JP disclosed
JP-H04164071-A HYDANTOIN DERIVATIVE AND PRODUCTION THEREOF SUMITOMO CHEM CO LTD 1992-06-09 JP disclosed