SCHEMBL9863620

SCHEMBL9863620

CCCCCCCCCCCCCCCCCCOCC(CO)OC(=O)N(C)C

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.51
PRKCA P17252 4/20 0.48
PRKCE Q02156 2/20 0.48
PRKCQ Q04759 2/20 0.48
PRKCD Q05655 2/20 0.48
SPHK1 Q9NYA1 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
PLA2G2C Q5R387 2/20 0.44
LPAR1 Q92633 2/20 0.43
LPAR3 Q9UBY5 2/20 0.43
HTT P42858 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CES2 O00748 1/20 0.42

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
SCHEMBL10833233 0.85 USP2 (0.49) USP2PRKCAPRKCEPRKCQPRKCD
SCHEMBL1009136 0.82 PRKCA (0.65) USP2PRKCAPRKCEPRKCQPRKCD
SCHEMBL30227320 0.82 USP2 (0.56) USP2PRKCAPRKCEPRKCQPRKCD
SCHEMBL5493689 0.82 PRKCA (0.65) USP2PRKCAPRKCEPRKCQPRKCD
SCHEMBL2732833 0.82 PRKCA (0.65) USP2PRKCAPRKCEPRKCQPRKCD
SCHEMBL7411764 0.82 PRKCA (0.65) USP2PRKCAPRKCEPRKCQPRKCD
SCHEMBL27795601 0.82 PRKCA (0.65) USP2PRKCAPRKCEPRKCQPRKCD
SCHEMBL1008410 0.82 PRKCA (0.65) USP2PRKCAPRKCEPRKCQPRKCD
SCHEMBL6725439 0.81 USP2 (0.54) USP2PRKCAPRKCEPRKCQPRKCD
SCHEMBL10941567 0.81 USP2 (0.54) USP2PRKCAPRKCEPRKCQPRKCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5025005-A Preventive or therapeutic agents for circulatory diseases, allergic disorders; antineoplastic agent; inhibitor for platelet activating factor TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-06-18 US disclosed
EP-0225129-B1 PHOSPHOLIPID DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1989-05-24 EP disclosed
US-4778912-A ANTITUMOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-10-18 US disclosed
US-4737518-A ANTIALLERGENS, ANTINEOPLASTICS, ANTICOAGULANTS, CIRCULATORY DISEASES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-04-12 US disclosed
EP-0094186-B1 GLYCEROL DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1986-07-30 EP disclosed
US-4576933-A Method of use of 1-(alkyl for alkylcarbanoyl)-2-carbamoylglycerol derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1986-03-18 US disclosed
EP-0157609-A2 Lipid derivatives their production and use Takeda Chemical Industries, Ltd. (JP) 1985-10-09 EP disclosed
EP-0094186-A1 Glycerol derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1983-11-16 EP disclosed