SCHEMBL6546704

SCHEMBL6546704

CCCc1ccc(CC(C)c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.53
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
TAAR1 Q96RJ0 4/20 0.45
HTR2A P28223 1/20 0.44
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
OPRL1 P41146 1/20 0.42
AOC3 Q16853 1/20 0.41
MAOA P21397 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL6546361 0.94 SIGMAR1 (0.55) SIGMAR1ESR1ESR2TAAR1HTR2A
SCHEMBL9069704 0.88 ESR1 (0.61) SIGMAR1ESR1ESR2TAAR1AOC3
SCHEMBL6547237 0.84 ESR1 (0.53) SIGMAR1ESR1ESR2TAAR1AOC3
SCHEMBL25382223 0.84 SIGMAR1 (0.46) SIGMAR1TAAR1HTR2AOPRM1OPRK1
SCHEMBL8983689 0.83 TAAR1 (0.56) SIGMAR1ESR1ESR2TAAR1HTR2A
SCHEMBL535702 0.83 TAAR1 (0.56) SIGMAR1ESR1ESR2TAAR1HTR2A
SCHEMBL14799062 0.83 TAAR1 (0.56) SIGMAR1ESR1ESR2TAAR1HTR2A
SCHEMBL25381840 0.82 SIGMAR1 (0.44) SIGMAR1TAAR1HTR2AOPRM1OPRK1
SCHEMBL1836570 0.81 ESR1 (0.79) ESR1ESR2TAAR1OPRM1OPRK1
SCHEMBL1954272 0.81 ESR1 (0.79) ESR1ESR2TAAR1OPRM1OPRK1

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