SCHEMBL16709802

SCHEMBL16709802

C=CC(=O)OCc1ccc(Sc2cccs2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.37
RAB9A P51151 3/20 0.36
LMNA P02545 2/20 0.35
THRB P10828 2/20 0.35
TOP2A P11388 2/20 0.34
TOP2B Q02880 2/20 0.34
CA12 O43570 1/20 0.33
AKR1B10 O60218 1/20 0.33
AKR1B1 P15121 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 1/20 0.33
TGM2 P21980 1/20 0.33
FBP1 P09467 1/20 0.33

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
SCHEMBL12268166 0.82 HCAR2 (0.43) HCAR2LMNATHRBTOP2ATOP2B
SCHEMBL21577435 0.80 HCAR2 (0.50) HCAR2LMNATHRBTOP2ATOP2B
SCHEMBL16709780 0.80 HCAR2 (0.50) HCAR2LMNATHRBTOP2ATOP2B
SCHEMBL16709798 0.79 RAB9A (0.38) HCAR2RAB9ALMNATHRBTOP2A
SCHEMBL31470659 0.78 LTA4H (0.49) HCAR2HPGDALDH1A1POLBTSHR
SCHEMBL2556244 0.77 HCAR2 (0.50) HCAR2LMNATHRBCA12AKR1B10
SCHEMBL16709796 0.76 CYP2A6 (0.40) HCAR2TOP2ATOP2BCA12
SCHEMBL16709763 0.76 KDM4E (0.40) HCAR2RAB9ALMNATHRBTOP2A
SCHEMBL28270005 0.75 KDM4E (0.42) HCAR2RAB9ALMNATHRBHPGD
SCHEMBL16709762 0.75 HCAR2 (0.45) HCAR2RAB9ALMNATHRBTOP2A

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
WO-2015068839-A1 POLYMERIZABLE COMPOUND, RESIN COMPOSITION USING SAME, CURED RESIN, AND OPTICAL MATERIAL 新日鉄住金化学株式会社 2015-05-14 WO disclosed