SCHEMBL4423368

SCHEMBL4423368

COc1cc(OC(=O)c2cccs2)ccc1-c1ccc2c(c1C(O)C(=O)c1ccc(C)s1)C(C)=CC(C)(C)N2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
LMNA P02545 5/20 0.39
HTT P42858 5/20 0.39
NPSR1 Q6W5P4 4/20 0.39
TP53 P04637 2/20 0.39
NR3C1 P04150 6/20 0.39
NR3C2 P08235 1/20 0.39
AR P10275 1/20 0.39
TDP1 Q9NUW8 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
HSD17B10 Q99714 1/20 0.38
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
C1S P09871 2/20 0.37
CFD P00746 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
KMT2A Q03164 6/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 3/20 0.36
KDM4E B2RXH2 2/20 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
SCHEMBL12521759 0.88 MAPT (0.36) MAPTLMNAHTTNPSR1TP53
SCHEMBL4418729 0.87 MAPT (0.39) MAPTLMNAHTTNPSR1TP53
SCHEMBL2350297 0.87 HTT (0.41) MAPTLMNAHTTNPSR1TP53
SCHEMBL2350291 0.87 MAPT (0.39) MAPTLMNAHTTNPSR1TP53
SCHEMBL1780169 0.84 MAPT (0.40) MAPTLMNAHTTNPSR1TP53
SCHEMBL2393953 0.83 NR3C1 (0.43) NR3C1NR3C2ARPGR
SCHEMBL13571452 0.83 IL6 (0.41) MAPTLMNAHTTNPSR1TDP1
SCHEMBL1315415 0.82 NR3C1 (0.42) MAPTLMNAHTTNPSR1TP53
SCHEMBL2545695 0.80 NR3C1 (0.38) MAPTLMNAHTTNPSR1TP53
SCHEMBL1779600 0.79 MAPT (0.40) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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