SCHEMBL6545909

SCHEMBL6545909

Cc1ccc(C(C)C(C)c2ccccc2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.42
CACNA2D1 P54289 4/20 0.41
CACNA1B Q00975 4/20 0.41
CACNB1 Q02641 4/20 0.41
CACNA1C Q13936 3/20 0.41
CACNA1G O43497 1/20 0.41
LMNA P02545 4/20 0.38
CHRM1 P11229 2/20 0.38
ADRA1A P35348 2/20 0.38
TRPA1 O75762 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2B P41595 1/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 2/20 0.38
ESR1 P03372 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
KCNE1 P15382 1/20 0.38
CHRM3 P20309 1/20 0.38

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
SCHEMBL29486481 0.82 TYR (0.50) CASRCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL28682080 0.82 TYR (0.50) CASRCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL439493 0.82 TYR (0.50) CASRCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL11410686 0.80 CACNA2D1 (0.43) CASRCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL6229251 0.80 CACNA2D1 (0.43) CASRCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL8743253 0.78 CASR (0.47) CASRCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL5605959 0.78 CASR (0.47) CASRCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL6225152 0.77 CACNA2D1 (0.41) CASRCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL6546654 0.77 CACNA2D1 (0.47) CASRCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL14677950 0.77 TACR1 (0.41) CASRCACNA2D1CACNA1BCACNB1CACNA1C

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
EP-0717098-B1 A refrigerating machine oil and a fluid composition for use in a refrigerating machine NIPPON MITSUBISHI OIL CORP (JP) 2004-01-21 EP disclosed
US-5817251-A AROMATIC HYDROCARBON LUBRICANT NIPPON OIL CO., LTD. (JP) 1998-10-06 US disclosed
US-5711895-A Fluid composition for use in a refrigerating machine in which the refrigerating machine oil is at least one hydrocarbon compound of a formula consisting of two phenyl groups joined through an alkylene or alkenylene group NIPPON OIL CO., LTD. (JP) 1998-01-27 US disclosed
EP-0717098-A2 A refrigerating machine oil and a fluid composition for use in a refrigerating machine NIPPON OIL CO. LTD. (JP) 1996-06-19 EP disclosed