SCHEMBL7469680

SCHEMBL7469680

CCCCC(C(=O)O)N1C(=O)C(C)=C(C)C1=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.42
MAPK1 P28482 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
GLA P06280 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
NFKB1 P19838 1/20 0.41
APEX1 P27695 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA2 P00918 1/20 0.41
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
Hydrochloric Acid SCHEMBL7462193 0.98 PTPN1 (0.41) PTPN1MAPK1KDM4EALDH1A1TP53
SCHEMBL6939678 0.93 GPR84 (0.46) PTPN1MAPK1KDM4EALDH1A1TP53
SCHEMBL7462188 0.84 PTPN1 (0.34) PTPN1MAPK1ALDH1A1TP53POLB
SCHEMBL8890653 0.81 ALDH1A1 (0.47) MAPK1KDM4EALDH1A1TP53GLA
SCHEMBL6937699 0.81 ALDH1A1 (0.40) MAPK1KDM4EALDH1A1TP53GLA
SCHEMBL133528 0.80 POLB (0.68) MAPK1KDM4EALDH1A1TP53GLA
SCHEMBL29783279 0.80 POLB (0.68) MAPK1KDM4EALDH1A1TP53GLA
Hydrochloric Acid SCHEMBL7473828 0.79 ALDH1A1 (0.39) MAPK1KDM4EALDH1A1TP53GLA
Hydrochloric Acid SCHEMBL7757351 0.79 POLB (0.66) MAPK1KDM4EALDH1A1TP53GLA
SCHEMBL6941606 0.79 PTPN1 (0.41) PTPN1MAPK1KDM4EALDH1A1TP53

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 4 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-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