SCHEMBL6937699

SCHEMBL6937699

CCC(C(=O)O)N1C(=O)C(C)=C(C)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
PKM P14618 1/20 0.39
POLB P06746 3/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX12 P18054 1/20 0.39
NFKB1 P19838 1/20 0.39
APEX1 P27695 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
TNNI3 P19429 1/20 0.38
TNNT2 P45379 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
Hydrochloric Acid SCHEMBL7473828 0.98 ALDH1A1 (0.39) ALDH1A1GAAPKMPOLBHPGD
SCHEMBL20437112 0.82 MAP3K5 (0.40) ALDH1A1GAAPOLBHPGDMAPK1
SCHEMBL7473824 0.82 ALDH1A1 (0.34) ALDH1A1PKMPOLB
SCHEMBL7469680 0.81 PTPN1 (0.42) ALDH1A1GAAPOLBHPGDMAPK1
SCHEMBL6795134 0.80 SMN1; SMN2 (0.49) ALDH1A1GAA
Hydrochloric Acid SCHEMBL7462193 0.80 PTPN1 (0.41) ALDH1A1GAAPOLBHPGDMAPK1
SCHEMBL6939678 0.78 GPR84 (0.46) ALDH1A1GAAPOLBHPGDMAPK1
SCHEMBL512864 0.77 ALDH1A1 (0.68) ALDH1A1GAAPKMPOLBHPGD
SCHEMBL20835844 0.77 ALDH1A1 (0.68) ALDH1A1GAAPKMPOLBHPGD
SCHEMBL32691229 0.77 ALDH1A1 (0.68) ALDH1A1GAAPKMPOLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1016659-B1 Bismaleimides comprising mesogenic groups and oligomeric liquid crystalline bismaleimides DAINIPPON INK & CHEMICALS (JP) 2003-09-24 EP disclosed
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-6169186-B1 LIQUID CRYSTALS AND LIQUID CRYSTALLINE POLYMERS DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-01-02 US disclosed
EP-1016659-A1 Bismaleimides comprising mesogenic groups and oligomeric liquid crystalline bismaleimides DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-07-05 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