SCHEMBL6546223

SCHEMBL6546223

CCc1ccccc1Cc1cccc(C)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.46
GABRB2 P47870 2/20 0.46
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
CNR2 P34972 2/20 0.39
GPR55 Q9Y2T6 2/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PTGS2 P35354 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
NR3C2 P08235 1/20 0.37
CNR1 P21554 1/20 0.37
TRPA1 O75762 1/20 0.37
ATM Q13315 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL6546715 0.89 GABRA1 (0.48) GABRA1GABRB2ESR1ESR2CNR2
SCHEMBL11202919 0.87 TAAR1 (0.45) ESR1ESR2CNR2GPR55TP53
SCHEMBL3306785 0.87 ESR1 (0.47) GABRA1GABRB2ESR1ESR2CNR2
SCHEMBL6546102 0.86 TAAR1 (0.41) GABRA1GABRB2ESR1ESR2CNR2
SCHEMBL11666322 0.85 GABRA1 (0.43) GABRA1GABRB2ESR1ESR2TP53
SCHEMBL11210876 0.85 TAAR1 (0.46) GABRA1GABRB2CNR2GPR55PTGS2
SCHEMBL6548002 0.85 TAAR1 (0.46) GABRA1GABRB2CNR2GPR55PTGS2
SCHEMBL6546855 0.85 TAAR1 (0.46) ESR1ESR2CNR2GPR55TP53
O-Xylene SCHEMBL11099451 0.85 TSHR (0.48) GABRA1GABRB2ESR1ESR2TP53
SCHEMBL140570 0.84 GABRA1 (0.50) GABRA1GABRB2ESR1ESR2TP53

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