SCHEMBL9817040

SCHEMBL9817040

CCC(CC)(CC)C(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
TAAR1 Q96RJ0 4/20 0.39
HTR2A P28223 4/20 0.39
HRH1 P35367 3/20 0.39
RIPK1 Q13546 3/20 0.39
TDP1 Q9NUW8 1/20 0.38
TRPA1 O75762 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL28563974 0.78 TAAR1 (0.43) LMNATAAR1HTR2AHRH1RIPK1
SCHEMBL17242033 0.78 TAAR1 (0.43) LMNATAAR1HTR2AHRH1RIPK1
SCHEMBL21438353 0.78 TAAR1 (0.43) LMNATAAR1HTR2AHRH1RIPK1
SCHEMBL9493203 0.78 LMNA (0.43) LMNATAAR1HTR2AHRH1RIPK1
SCHEMBL28357001 0.75 LMNA (0.39) LMNATAAR1HTR2ARIPK1TRPA1
SCHEMBL1058678 0.75 LMNA (0.40) LMNATAAR1HTR2AHRH1RIPK1
SCHEMBL1058675 0.75 LMNA (0.40) LMNATAAR1HTR2AHRH1RIPK1
Water SCHEMBL8529214 0.75 DPP4 (0.42) LMNATAAR1HTR2A
Hydrochloric Acid SCHEMBL8530463 0.75 DPP4 (0.42) LMNATAAR1HTR2ATDP1
SCHEMBL5570358 0.72 LMNA (0.38) LMNATAAR1HTR2AHRH1RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0282064-B1 METHOD FOR PRODUCING M-ETHYLDIPHENYLS NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1991-10-23 EP disclosed
US-4835337-A Method for producing m-ethyldiphenyls NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1989-05-30 US disclosed
EP-0282064-A1 Method for producing m-ethyldiphenyls NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1988-09-14 EP disclosed