SCHEMBL7464004

SCHEMBL7464004

CC1=C(C)C(=O)N(CN=C=O)C1=O

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL12215115 0.80 F2 (0.35)
SCHEMBL10271098 0.77
SCHEMBL12215107 0.76 F2 (0.56) ALDH1A1
SCHEMBL7469851 0.75 ALDH1A1 (0.41) ALDH1A1PKM
SCHEMBL7463339 0.72 ALDH1A1 (0.39) ALDH1A1PKM
SCHEMBL18055622 0.67
SCHEMBL10901592 0.66 ALDH1A1 (0.61) ALDH1A1PKM
SCHEMBL3439745 0.65 CYP3A4 (0.31)
SCHEMBL10437677 0.65 ALDH1A1 (0.48) ALDH1A1PKM
SCHEMBL14011308 0.64 F2 (0.53) ALDH1A1PKM

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0813546-B1 PHOTOCHEMICALLY CROSS-LINKED POLYSACCHARIDE DERIVATIVES AS SUPPORTS FOR THE CHROMATOGRAPHIC SEPARATION OF ENANTIOMERS NOVARTIS AG (CH) 2002-07-17 EP disclosed
EP-1218370-A2 QUINOLYL PROPYL PIPERIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS Aventis Pharma S.A. (FR) 2002-07-03 EP disclosed
WO-2001025227-A2 QUINOLYL PROPYL PIPERIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS AVENTIS PHARMA S.A. (FR) 2001-04-12 WO disclosed
US-6011149-A ESTERIFICATION; CARBAMYLATION NOVARTIS AG (CH) 2000-01-04 US disclosed
EP-0813546-A1 PHOTOCHEMICALLY CROSS-LINKED POLYSACCHARIDE DERIVATIVES AS SUPPORTS FOR THE CHROMATOGRAPHIC SEPARATION OF ENANTIOMERS Novartis AG (CH) 1997-12-29 EP disclosed
WO-1996027615-A1 PHOTOCHEMICALLY CROSS-LINKED POLYSACCHARIDE DERIVATIVES AS SUPPORTS FOR THE CHROMATOGRAPHIC SEPARATION OF ENANTIOMERS NOVARTIS AG (CH) 1996-09-12 WO disclosed