SCHEMBL7494359

SCHEMBL7494359

COC(=O)[C@H](CNC(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.59
ALDH1A1 P00352 1/20 0.57
ALOX15 P16050 1/20 0.57
CTSK P43235 9/20 0.56
TRPM8 Q7Z2W7 1/20 0.54
CTSS P25774 3/20 0.53
CTSL P07711 2/20 0.53
CTSB P07858 2/20 0.53
ATM Q13315 1/20 0.52
PSMB1 P20618 1/20 0.51
PSMB5 P28074 1/20 0.51
PSMB2 P49721 1/20 0.51
CAPN1 P07384 1/20 0.51
TACR1 P25103 1/20 0.50

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
SCHEMBL7494365 1.00 KYNU (0.59) KYNUALDH1A1ALOX15CTSKTRPM8
SCHEMBL24130581 0.86 KYNU (0.62) KYNUALDH1A1ALOX15CTSKTRPM8
SCHEMBL3249670 0.86 KYNU (0.62) KYNUALDH1A1ALOX15CTSKTRPM8
SCHEMBL24130582 0.86 KYNU (0.62) KYNUALDH1A1ALOX15CTSKTRPM8
SCHEMBL6498057 0.86 KYNU (0.62) KYNUALDH1A1ALOX15CTSKTRPM8
SCHEMBL13369139 0.85 KYNU (0.60) KYNUALDH1A1ALOX15CTSKTRPM8
SCHEMBL13625105 0.85 KYNU (0.60) KYNUALDH1A1ALOX15CTSKTRPM8
SCHEMBL29095981 0.85 KYNU (0.63) KYNUALDH1A1ALOX15CTSKTRPM8
SCHEMBL18328213 0.85 KYNU (0.63) KYNUALDH1A1ALOX15CTSKTRPM8
SCHEMBL8438035 0.84 ALDH1A1 (0.60) KYNUALDH1A1ALOX15CTSKTRPM8

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-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 EP disclosed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 WO disclosed