SCHEMBL7468866

SCHEMBL7468866

CC1=C(C)C(=O)N(CC(=O)Cl)C1=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
PKM P14618 1/20 0.48
PIN1 Q13526 1/20 0.35
PIN4 Q9Y237 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30
LPAR1 Q92633 1/20 0.30
LPAR3 Q9UBY5 1/20 0.30

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
SCHEMBL7462959 0.78 ALDH1A1 (0.61) ALDH1A1PKMCA12CA9MEN1
SCHEMBL10424654 0.78 BLM (0.43) CA12CA9
SCHEMBL22122221 0.73 ALDH1A1 (0.45) ALDH1A1PKMCA12CA9MEN1
SCHEMBL22152246 0.73 CASP3 (0.48) ALDH1A1PKMPIN1PIN4MEN1
SCHEMBL17853989 0.73 ALDH1A1 (0.45) ALDH1A1PKMPIN1PIN4RXFP1
SCHEMBL11511517 0.71 ALDH1A1 (0.53) ALDH1A1PKMMEN1KMT2A
SCHEMBL252198 0.71 CA12 (0.68) ALDH1A1CA12CA9MEN1KMT2A
SCHEMBL9717155 0.71 CA9 (0.40) ALDH1A1CA12CA9GSK3BKDM4E
SCHEMBL13197627 0.70 PKM (0.42) ALDH1A1PKMMEN1KMT2AKDM4E
SCHEMBL7615351 0.69 ALDH1A1 (0.50) ALDH1A1PKMPOLB

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 9 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
US-6265509-B1 POLYVINYL ACETALS NOVARTIS AG (CH) 2001-07-24 US disclosed
EP-0807265-B1 CROSSLINKED POLYMERS NOVARTIS AG (CH) 2000-04-12 EP disclosed
US-6011149-A ESTERIFICATION; CARBAMYLATION NOVARTIS AG (CH) 2000-01-04 US disclosed
US-5932674-A MOLDING MATERIALS; CONTACT LENSES NOVARTIS AG (CH) 1999-08-03 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
EP-0807265-A1 CROSSLINKED POLYMERS Novartis AG (CH) 1997-11-19 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
WO-1996024074-A1 CROSSLINKED POLYMERS NOVARTIS AG (CH) 1996-08-08 WO disclosed