SCHEMBL6546820

SCHEMBL6546820

CCCC(c1ccccc1)c1ccc(C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51
CYP19A1 P11511 2/20 0.50
HRH1 P35367 6/20 0.47
HTR2A P28223 5/20 0.47
CASR P41180 2/20 0.46
SIGMAR1 Q99720 1/20 0.46
AOC3 Q16853 1/20 0.43
LMNA P02545 3/20 0.42
CYP3A4 P08684 2/20 0.42
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 1/20 0.42
SMPD1 P17405 1/20 0.42
DRD1 P21728 1/20 0.42
TBXA2R P21731 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42

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
SCHEMBL9330269 0.93 CYP19A1 (0.46) CNR1CNR2CYP19A1HRH1HTR2A
SCHEMBL10426530 0.91 CNR1 (0.45) CNR1CNR2CYP19A1HRH1HTR2A
SCHEMBL29723649 0.89 CNR1 (0.56) CNR1CNR2CYP19A1HRH1HTR2A
SCHEMBL107889 0.89 HRH1 (0.56) CNR1HRH1HTR2ACASRSIGMAR1
SCHEMBL6547352 0.88 SIGMAR1 (0.52) CNR1CNR2CYP19A1HRH1HTR2A
Hydrochloric Acid SCHEMBL6521685 0.86 HRH1 (0.54) CNR1HRH1HTR2ACASRSIGMAR1
SCHEMBL28229621 0.86 HRH1 (0.54) CNR1HRH1HTR2ACASRSIGMAR1
Hydrogen Peroxide SCHEMBL27864054 0.86 HRH1 (0.54) CNR1CNR2HRH1HTR2ACASR
Ammonia Solution, Strong SCHEMBL5724927 0.86 HRH1 (0.54) CNR1HRH1HTR2ACASRSIGMAR1
SCHEMBL11436698 0.86 SIGMAR1 (0.55) CNR1CNR2CYP19A1HRH1HTR2A

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