SCHEMBL14847748

SCHEMBL14847748

COc1cc(OOc2ccccc2)ccc1-c1ccc2c(c1COc1cc(F)ccc1C)C(C)=CC(C)(C)N2

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IL6 P05231 8/20 0.49
NR3C1 P04150 8/20 0.44
PGR P06401 6/20 0.44
AR P10275 4/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
NR3C2 P08235 2/20 0.40

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
SCHEMBL14847670 0.95 IL6 (0.49) IL6NR3C1PGRARESR1
SCHEMBL17676709 0.92 IL6 (0.51) IL6NR3C1PGRARESR1
SCHEMBL14847496 0.92 IL6 (0.47) IL6NR3C1PGRARESR1
SCHEMBL2393561 0.91 IL6 (0.53) IL6NR3C1PGRARESR1
SCHEMBL447508 0.91 IL6 (0.51) IL6NR3C1PGRARESR1
SCHEMBL2392089 0.91 IL6 (0.50) IL6NR3C1PGRARESR1
SCHEMBL1316864 0.90 IL6 (0.49) IL6NR3C1PGRARESR1
SCHEMBL448647 0.89 NR3C1 (0.49) IL6NR3C1PGRARESR1
SCHEMBL2395422 0.89 PGR (0.49) IL6NR3C1PGRARESR1
SCHEMBL14847653 0.89 IL6 (0.48) IL6NR3C1PGRARESR1

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