SCHEMBL10654476

SCHEMBL10654476

Cc1ccc(CC(=O)N[C@H](C(=O)O)C(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.55
CNR2 P34972 2/20 0.55
CNR1 P21554 1/20 0.55
KEAP1 Q14145 7/20 0.54
NFE2L2 Q16236 7/20 0.54
PSMB8 P28062 1/20 0.52
PSMB5 P28074 1/20 0.52
MAPK1 P28482 1/20 0.48
TSHR P16473 1/20 0.48
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
SDCBP O00560 1/20 0.47
SDC2 P34741 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL10654474 1.00 HPGD (0.55) HPGDCNR2CNR1KEAP1NFE2L2
SCHEMBL4412844 0.87 POLB (0.59) HPGDCNR2CNR1PSMB8PSMB5
SCHEMBL4412847 0.87 POLB (0.59) HPGDCNR2CNR1PSMB8PSMB5
SCHEMBL10432164 0.87 POLB (0.59) HPGDCNR2CNR1PSMB8PSMB5
SCHEMBL28196545 0.86 HPGD (0.54) HPGDCNR2CNR1KEAP1NFE2L2
SCHEMBL16312234 0.84 HTT (0.61) CNR2MAPTALDH1A1
SCHEMBL7361586 0.84 ALDH1A1 (0.67) HPGDTSHRMAPTGAASDCBP
SCHEMBL6136486 0.83 HPGD (0.58) HPGDCNR2CNR1KEAP1NFE2L2
SCHEMBL6136490 0.83 HPGD (0.58) HPGDCNR2CNR1KEAP1NFE2L2
SCHEMBL16312237 0.83 PSMB8 (0.52) PSMB8PSMB5MAPK1TSHRGAA

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-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed