SCHEMBL729427

SCHEMBL729427

C=CCC(=CC(N)C=C)C(N)=O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
FGFR4 P22455 1/20 0.33
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
BLM P54132 1/20 0.31
SLC6A3 Q01959 1/20 0.31
MEN1 O00255 1/20 0.31
CYP2D6 P10635 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 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
SCHEMBL731668 0.86 SLC6A2 (0.36) TSHRSLC6A2SLC6A4BLMSLC6A3
SCHEMBL28206838 0.78 GRIK1 (0.40)
SCHEMBL4557964 0.74 ALDH1A1 (0.39) TSHRALDH1A1FGFR4
SCHEMBL4557967 0.74 ALDH1A1 (0.39) TSHRALDH1A1FGFR4
SCHEMBL9281800 0.74 ALDH1A1 (0.39) TSHRALDH1A1FGFR4
SCHEMBL3889301 0.72
SCHEMBL170796 0.72
SCHEMBL7856487 0.72
SCHEMBL27513945 0.70 ALDH1A1 (0.33) TSHRALDH1A1FGFR4
SCHEMBL18660283 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109642147-A Method of producing a composite material BP探索操作有限公司 2019-04-16 CN claimed
CN-109789063-A Personal Care Gels and Methods 高露洁-棕榄公司 2019-05-21 CN disclosed
CN-109642147-A Method of producing a composite material BP探索操作有限公司 2019-04-16 CN disclosed
CN-105531005-B The method for forming defoaming agent particle 美国陶氏有机硅公司 2018-12-28 CN disclosed
CN-105531005-A Method of forming an antifoam granule DOW CORNING 2016-04-27 CN disclosed
CN-103221106-B Granulated organopolysiloxane products DOW CORNING 2015-03-18 CN disclosed
CN-103443208-A Solid colouring compositions DOW CORNING 2013-12-11 CN disclosed
CN-103221106-A Granulated organopolysiloxane products DOW CORNING 2013-07-24 CN disclosed
US-8136676-B2 a membrane or fibers composed of or coated with methoxyethyl methacrylate/2-/-di(ethylene glycol)ethyl ether methacrylate-2-(diethylamino)ethyl methacrylate terpolymer for the selective removal, reduction or separation of white blood cells and/or platelets from blood by passing blood through the medium UNIVERSITY OF SOUTHAMPTON (GB) 2012-03-20 US disclosed
US-20080190843-A1 Polymers Useful as Medical Materials UNIVERSITY OF SOUTHAMPTON (GB) 2008-08-14 US disclosed
EP-0435418-A1 A dispersant/antioxidant viscosity index improving lubricant additive TEXACO DEVELOPMENT CORPORATION (US) 1991-07-03 EP disclosed