SCHEMBL4423863

SCHEMBL4423863

CCCOc1ccc(OC)c(-c2ccc3c(c2COc2cc(F)ccc2C)C(C)=CC(C)(C)N3)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL6 P05231 8/20 0.49
PGR P06401 9/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NR3C1 P04150 5/20 0.40
AR P10275 3/20 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
SCHEMBL4424519 0.95 IL6 (0.52) IL6PGRKDM4EMEN1ALDH1A1
SCHEMBL2393354 0.92 IL6 (0.52) IL6PGRKDM4EMEN1ALDH1A1
SCHEMBL1315673 0.91 IL6 (0.49) IL6PGRKDM4EMEN1ALDH1A1
SCHEMBL5035554 0.90 IL6 (0.55) IL6PGRNR3C1ARESR1
SCHEMBL17676715 0.90 IL6 (0.51) IL6PGRKDM4EMEN1ALDH1A1
SCHEMBL2395549 0.89 IL6 (0.50) IL6PGRKDM4EMEN1ALDH1A1
SCHEMBL2393287 0.89 IL6 (0.49) IL6PGRKDM4EMEN1ALDH1A1
SCHEMBL2391824 0.89 IL6 (0.48) IL6PGRNR3C1ARESR1
SCHEMBL2393957 0.89 IL6 (0.48) IL6PGRKDM4EMEN1ALDH1A1
SCHEMBL2397683 0.89 IL6 (0.48) IL6PGRKDM4EMEN1ALDH1A1

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-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
EP-2085387-A1 NOVEL 1,2-DIHYDROQUINOLINE DERIVATIVE HAVING SUBSTITUTED PHENYLCHALCOGENO LOWER ALKYL GROUP AND ESTER-INTRODUCED PHENYL GROUP AS SUBSTITUENTS Santen Pharmaceutical Co., Ltd (JP) 2009-08-05 EP disclosed