SCHEMBL4428816

SCHEMBL4428816

COc1cc(OC(=O)c2ccccc2)ccc1-c1ccc2c(c1C(OC=O)c1ccc(C)s1)C(C)=CC(C)(C)N2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
LMNA P02545 6/20 0.44
HTT P42858 4/20 0.44
NPSR1 Q6W5P4 4/20 0.44
TP53 P04637 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HSD17B10 Q99714 1/20 0.44
NR3C1 P04150 13/20 0.38
NR3C2 P08235 2/20 0.38
AR P10275 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.36
PGR P06401 3/20 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
SCHEMBL17667944 0.90 MAPT (0.39) MAPTLMNAHTTNPSR1TP53
SCHEMBL17667953 0.88 NR3C1 (0.47) MAPTLMNAHTTNPSR1TP53
SCHEMBL2355746 0.88 MAPT (0.44) MAPTLMNAHTTNPSR1TP53
SCHEMBL2346391 0.87 MAPT (0.41) MAPTLMNAHTTNPSR1TP53
SCHEMBL2356050 0.86 MAPT (0.40) MAPTLMNAHTTNPSR1TP53
SCHEMBL2544665 0.86 MAPT (0.40) MAPTLMNAHTTNPSR1TP53
SCHEMBL2354781 0.86 MAPT (0.46) MAPTLMNAHTTNPSR1TP53
SCHEMBL2354785 0.86 MAPT (0.36) MAPTLMNAHTTNPSR1TP53
SCHEMBL2351046 0.84 MAPT (0.40) MAPTLMNAHTTNPSR1TP53
SCHEMBL2349553 0.84 MAPT (0.47) MAPTLMNAHTTNPSR1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2085389-A1 NOVEL 1,2-DIHYDROQUINOLINE DERIVATIVE HAVING (SUBSTITUTED PHENYL OR SUBSTITUTED HETEROCYCLIC) CARBONYLOXY LOWER ALKYL GROUP AND ESTER-INTRODUCED PHENYL GROUP AS SUBSTITUENTS Santen Pharmaceutical Co., Ltd (JP) 2009-08-05 EP claimed
EP-2085389-B1 1,2-DIHYDROQUINOLINE DERIVATIVE HAVING (SUBSTITUTED PHENYL OR SUBSTITUTED HETEROCYCLIC) CARBONYLOXY LOWER ALKYL GROUP AND ESTER-INTRODUCED PHENYL GROUP AS SUBSTITUENTS SANTEN PHARMACEUTICAL CO LTD (JP) 2012-09-26 EP disclosed
EP-2085389-A1 NOVEL 1,2-DIHYDROQUINOLINE DERIVATIVE HAVING (SUBSTITUTED PHENYL OR SUBSTITUTED HETEROCYCLIC) CARBONYLOXY LOWER ALKYL GROUP AND ESTER-INTRODUCED PHENYL GROUP AS SUBSTITUENTS Santen Pharmaceutical Co., Ltd (JP) 2009-08-05 EP disclosed