SCHEMBL6546102

SCHEMBL6546102

CCCc1ccccc1Cc1cccc(C)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.41
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
HTR2A P28223 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
TRPA1 O75762 1/20 0.35
ATM Q13315 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
CNR2 P34972 2/20 0.35
GPR55 Q9Y2T6 1/20 0.35
CNR1 P21554 1/20 0.35

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
SCHEMBL6546756 0.88 TAAR1 (0.48) TAAR1HTR2AMAPTTSHRCNR2
SCHEMBL6546223 0.86 GABRA1 (0.46) TAAR1ESR1ESR2TP53GAA
SCHEMBL11202919 0.85 TAAR1 (0.45) TAAR1ESR1ESR2TP53GAA
SCHEMBL599914 0.85 ESR1 (0.44) TAAR1ESR1ESR2TP53GAA
SCHEMBL29407427 0.85 ESR1 (0.44) TAAR1ESR1ESR2TP53GAA
SCHEMBL5437047 0.85 HTR2A (0.43) TAAR1HTR2AGAAGABRA1GABRB2
SCHEMBL3306785 0.85 ESR1 (0.47) TAAR1ESR1ESR2TP53GAA
SCHEMBL9360089 0.83 TAAR1 (0.54) TAAR1ESR1ESR2TP53GAA
Ammonia Solution, Strong SCHEMBL28176469 0.83 ESR1 (0.43) TAAR1ESR1ESR2TP53GAA
SCHEMBL6546855 0.83 TAAR1 (0.46) TAAR1ESR1ESR2TP53GAA

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