SCHEMBL4079128

SCHEMBL4079128

C=Cc1ccc(CCCC)c(CC)c1CC

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.37
CTRC Q99895 1/20 0.34
THRA P10827 2/20 0.33
THRB P10828 2/20 0.33
TLR8 Q9NR97 1/20 0.32
CYP3A4 P08684 2/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
ALOX5 P09917 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL4961436 0.87 TYR (0.38) TYRCTRCTHRATHRBTLR8
SCHEMBL4076628 0.84 CYP3A4 (0.36) TYRTHRATHRBCYP3A4ALOX5
SCHEMBL585023 0.83
SCHEMBL12802052 0.82 TYR (0.41) TYRTHRATHRBTLR8CYP3A4
Ammonia Solution, Strong SCHEMBL27543494 0.82 KDM4E (0.31)
SCHEMBL17160016 0.82 TYR (0.38) TYRCTRCTHRATHRBTLR8
SCHEMBL12802411 0.81 TYR (0.44) TYRTHRATHRBTLR8CYP3A4
SCHEMBL9310273 0.80 THRB (0.33) THRB
Hydrochloric Acid SCHEMBL28664970 0.79
Acrylonitrile SCHEMBL11674159 0.79 TYR (0.33) TYRCTRCHTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2019120-B1 BLOCK COPOLYMERS NIPPON SODA CO (JP) 2016-04-13 EP disclosed
US-8193285-B2 Block copolymers NIPPON SODA CO., LTD. (JP) 2012-06-05 US disclosed
US-20090253867-A1 BLOCK COPOLYMERS NIPPON SODA CO., LTD. (JP) 2009-10-08 US disclosed
EP-2019120-A1 BLOCK COPOLYMERS Nippon Soda Co., Ltd. (JP) 2009-01-28 EP disclosed