SCHEMBL9418858

SCHEMBL9418858

O=C(O)CC(O)(C(=O)O)C(C(=O)Cl)C(=O)OC(=O)C(C(=O)Cl)C(O)(CC(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACLY P53396 5/20 0.46
CPT2 P23786 1/20 0.46
HSPD1 P10809 1/20 0.36
BLM P54132 1/20 0.36
HSPE1 P61604 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL9418865 0.82 ACLY (0.55) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL9418857 0.82 ACLY (0.43) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL5067141 0.81 ACLY (0.46) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL2190166 0.73 ACLY (0.64) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL1463441 0.69 CPT2 (0.44) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL20472740 0.68 ACLY (0.52) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL9418854 0.68 ACLY (0.52) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL11759624 0.68 CPT2 (0.43) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL284430 0.67 ACLY (0.55) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL28860400 0.67 ACLY (0.55) ACLYCPT2HSPD1BLMHSPE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0391733-B1 Thermoplastic resin composition SUMITOMO CHEMICAL CO (JP) 1994-10-05 EP disclosed
US-5112914-A Blend of polyphenylene ether, thermoplastic polyester and amino resin SUMITOMO CHEMICAL CO., LTD. (JP) 1992-05-12 US disclosed
US-5019615-A Polyphenylene ether/polyester blend with nitrodiamine compound SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1991-05-28 US disclosed
EP-0391733-A2 Thermoplastic resin composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-10-10 EP disclosed
EP-0381391-A2 Resin composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-08-08 EP disclosed