SCHEMBL8979167

SCHEMBL8979167

O=C(O)CC(=O)OC1(C2CCCCC2)CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.37
LMNA P02545 4/20 0.34
TSHR P16473 3/20 0.33
CYP3A4 P08684 2/20 0.33
CYP1A2 P05177 2/20 0.33
ABCB11 O95342 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33
CYP2C9 P11712 1/20 0.33
CHRM3 P20309 1/20 0.33
DRD1 P21728 1/20 0.33
HRH2 P25021 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SCN1A P35498 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
SCHEMBL26939244 1.00 CYP2C19 (0.37) CYP2C19LMNATSHRCYP3A4CYP1A2
SCHEMBL26939248 1.00 CYP2C19 (0.37) CYP2C19LMNATSHRCYP3A4CYP1A2
SCHEMBL26939247 0.98 CYP2C19 (0.34) CYP2C19LMNATSHRCYP3A4CYP1A2
SCHEMBL17675331 0.82 LMNA (0.38) CYP2C19LMNATSHRCYP1A2MAPK1
SCHEMBL17675642 0.82 LMNA (0.38) CYP2C19LMNATSHRCYP1A2MAPK1
SCHEMBL13061739 0.81 CHRM2 (0.40) CYP2C19LMNATSHRCYP3A4CYP1A2
SCHEMBL17675342 0.80 LMNA (0.36) CYP2C19LMNATSHRCYP2C9HSD17B10
SCHEMBL22615871 0.79 CYP2C19 (0.31) CYP2C19HSD17B10
SCHEMBL22615995 0.77 LMNA (0.30) LMNA
SCHEMBL26939291 0.75 MME (0.36) LMNASMN1; SMN2MAPT

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
US-20230400766-A1 ONIUM SALT, RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-12-14 US disclosed
US-20230400766-A1 ONIUM SALT, RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-12-14 US disclosed
US-5552507-A DI-(3-ISOCYANATOPROPYL) MALONIC ACID DIESTERS, MONOMERS FOR POLYURETHANES OR POLYUREAS THAT ARE PHOTOSTABLE AND WEATHER RESISTANT BAYER AKTIENGESELLSCHAFT (DE) 1996-09-03 US disclosed
US-3943094-A Polymers and copolymers based on alkenoyl-oxybenzylidene-malonic esters as UV-absorbers and polymers stabilized therewith BAYER AKTIENGESELLSCHAFT (DT) 1976-03-09 US disclosed