SCHEMBL14847653

SCHEMBL14847653

COc1cc(OOC(F)(F)F)ccc1-c1ccc2c(c1COc1cc(F)ccc1C)C(C)=CC(C)(C)N2

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IL6 P05231 8/20 0.48
PGR P06401 10/20 0.41
NR3C1 P04150 5/20 0.40
AR P10275 4/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
NR3C2 P08235 3/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 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
SCHEMBL17676709 0.91 IL6 (0.51) IL6PGRNR3C1ARESR1
SCHEMBL2393561 0.90 IL6 (0.53) IL6PGRNR3C1ARESR1
SCHEMBL447508 0.90 IL6 (0.51) IL6PGRNR3C1ARESR1
SCHEMBL14847748 0.89 IL6 (0.49) IL6PGRNR3C1ARESR1
SCHEMBL14847670 0.89 IL6 (0.49) IL6PGRNR3C1ARESR1
SCHEMBL14847647 0.88 IL6 (0.49) IL6PGRNR3C1ARESR1
SCHEMBL1314664 0.87 IL6 (0.52) IL6PGRNR3C1ARESR1
SCHEMBL14847754 0.87 IL6 (0.52) IL6PGRNR3C1ARESR1
SCHEMBL14847500 0.87 IL6 (0.48) IL6PGRNR3C1ARESR1
SCHEMBL4424483 0.87 IL6 (0.51) IL6PGRNR3C1ARESR1

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
EP-2085387-B1 NOVEL 1,2-DIHYDROQUINOLINE DERIVATIVE HAVING SUBSTITUTED PHENYLCHALCOGENO LOWER ALKYL GROUP AND ESTER-INTRODUCED PHENYL GROUP AS SUBSTITUENTS SANTEN PHARMACEUTICAL CO LTD (JP) 2013-04-10 EP disclosed