SCHEMBL3788451

SCHEMBL3788451

CCOC(=O)c1coc(-c2ccc(Cl)cc2)cc1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
TNKS O95271 1/20 0.47
HSD17B10 Q99714 2/20 0.46
KMT2A Q03164 1/20 0.46
MAPK1 P28482 1/20 0.46
GAA P10253 1/20 0.46
GCGR P47871 1/20 0.46
ALPL P05186 1/20 0.45
TARBP2 Q15633 1/20 0.45
MAOB P27338 2/20 0.44
CHRNA7 P36544 2/20 0.44
POLB P06746 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ALOX5 P09917 1/20 0.43
BAZ2B Q9UIF8 1/20 0.43
BAZ2A Q9UIF9 1/20 0.43

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
SCHEMBL21638246 0.87 TNKS (0.47) SMN1; SMN2KDM4EALDH1A1HPGDTNKS
SCHEMBL3409831 0.86 MAOB (0.52) SMN1; SMN2KDM4EALDH1A1HPGDTNKS
SCHEMBL21638154 0.85 RAB9A (0.49) SMN1; SMN2KDM4EALDH1A1HPGDTNKS
SCHEMBL21638123 0.84 CYP4F2 (0.41) SMN1; SMN2KDM4EALDH1A1HPGDTNKS
SCHEMBL21638142 0.81 ALDH1A1 (0.46) KDM4EALDH1A1HPGDTNKSKMT2A
SCHEMBL21638185 0.80 ALDH1A1 (0.45) KDM4EALDH1A1HPGDTNKSGAA
SCHEMBL3105153 0.77 NPC1 (0.67) SMN1; SMN2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL24824195 0.77 KDM4E (0.41) KDM4EALDH1A1HPGDTNKSHSD17B10
SCHEMBL11085508 0.74 TNKS (0.48) SMN1; SMN2KDM4EALDH1A1HPGDTNKS
SCHEMBL23965786 0.74 PRKD3 (0.43) SMN1; SMN2KDM4EALDH1A1TNKSKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010133973-A1 1,4 DIHYDROPYRIDINE DERIVATIVES AND THEIR USES UNIVERSITE LILLE 2 DROIT ET SANTE (FR) 2010-11-25 WO disclosed