SCHEMBL6546196

SCHEMBL6546196

CCCc1ccc(CCCc2ccccc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.60
SIGMAR1 Q99720 4/20 0.58
MAOB P27338 2/20 0.54
KCNH2 Q12809 2/20 0.54
CHRM2 P08172 1/20 0.54
HTR1A P08908 1/20 0.54
ADRA2A P08913 1/20 0.54
CHRM1 P11229 1/20 0.54
DRD1 P21728 1/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A4 P31645 1/20 0.54
ADRA1A P35348 1/20 0.54
OPRM1 P35372 1/20 0.54
DRD3 P35462 1/20 0.54
SLC6A3 Q01959 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.50
MAOA P21397 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
Butylbenzyl SCHEMBL28449927 0.90 SIGMAR1 (0.55) SIGMAR1KCNH2CHRM2HTR1AADRA2A
SCHEMBL6546791 0.90 MAOA (0.56) HTR2ASIGMAR1MAOBKCNH2MAOA
Benzene SCHEMBL28308118 0.89 TP53 (0.58) HTR2ASIGMAR1KCNH2CHRM2HTR1A
SCHEMBL40575 0.89
Benzene SCHEMBL3223041 0.89 TP53 (0.58) HTR2ASIGMAR1KCNH2CHRM2HTR1A
SCHEMBL11594885 0.89 TP53 (0.58) HTR2ASIGMAR1KCNH2CHRM2HTR1A
SCHEMBL3843281 0.89 SIGMAR1 (0.49) HTR2ASIGMAR1MAOBKCNH2CHRM2
Iodide SCHEMBL10910035 0.87 TP53 (0.55) HTR2ASIGMAR1KCNH2CHRM2HTR1A
SCHEMBL9420959 0.87 TP53 (0.55) HTR2ASIGMAR1KCNH2CHRM2HTR1A
SCHEMBL10686071 0.87 TP53 (0.55) HTR2ASIGMAR1KCNH2CHRM2HTR1A

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 5 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
US-3975454-A GRAPHITE-ALKALI METAL SAGAMI CHEMICAL RESEARCH CENTER (JA) 1976-08-17 US disclosed