SCHEMBL4729634

SCHEMBL4729634

CCOC(=O)c1n[nH]c2c1COc1cc(Cl)c(-c3ccccc3Cl)cc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
POLB P06746 5/20 0.39
ALOX5 P09917 3/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
TP53 P04637 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
USP2 O75604 1/20 0.38
GLA P06280 1/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PAK1 Q13153 1/20 0.37
GABRP O00591 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
SCHEMBL4726712 0.90 MAPT (0.42) KDM4EPOLBHPGDNPSR1LMNA
SCHEMBL4727728 0.86 ALPL (0.44) KDM4EPOLBALOX5TP53TSHR
SCHEMBL4729379 0.85 GAA (0.40) KDM4EALDH1A1LMNATSHRNPC1
SCHEMBL4728706 0.85 ALPL (0.43) KDM4EPOLBALDH1A1GLAATM
SCHEMBL2171236 0.84 L3MBTL1 (0.38) KDM4EPOLBALDH1A1HPGDTP53
SCHEMBL2175776 0.83 NPC1 (0.48) KDM4EPOLBALDH1A1HPGDTP53
SCHEMBL4726914 0.83 MAPT (0.39) KDM4EPOLBHPGDNPSR1LMNA
SCHEMBL4726897 0.83 GAA (0.40) KDM4EPOLBALDH1A1HPGDNPSR1
SCHEMBL4728276 0.83 MAPT (0.43) KDM4EPOLBNPSR1TSHRHSD17B10
SCHEMBL4726979 0.82 SMN1; SMN2 (0.39) KDM4EPOLBALOX5ALDH1A1HPGD

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-2008035356-A2 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS LIMITED (IN) 2008-03-27 WO disclosed