SCHEMBL6546751

SCHEMBL6546751

CCCc1ccccc1Cc1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.47
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
CNR2 P34972 1/20 0.40
POLB P06746 2/20 0.39
TAAR1 Q96RJ0 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
KEAP1 Q14145 1/20 0.38
SLC5A2 P31639 2/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
LTA4H P09960 1/20 0.37
SLC5A1 P13866 1/20 0.37
IDO1 P14902 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 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
SCHEMBL8086620 0.92 HTR2A (0.54) HTR2ASLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL6546225 0.89 HTR2A (0.44) HTR2ASLC6A2SLC6A4SLC6A3CNR2
SCHEMBL8101085 0.88 LTA4H (0.47) HTR2ASLC6A2SLC6A4SLC6A3CNR2
SCHEMBL9403954 0.87 SLC6A2 (0.47) HTR2ASLC6A2SLC6A4SLC6A3POLB
SCHEMBL8102347 0.86 HTR2A (0.59) HTR2ASLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL5249364 0.85 HTR2A (0.63) HTR2ATAAR1CYP1A2CYP3A4TSHR
SCHEMBL6547993 0.83 POLB (0.45) HTR2ASLC6A2SLC6A4SLC6A3POLB
SCHEMBL2140027 0.83 HTR2A (0.54) HTR2ASLC6A2SLC6A4SLC6A3POLB
SCHEMBL8100890 0.83 LTA4H (0.46) HTR2ASLC6A2SLC6A4SLC6A3CNR2
SCHEMBL8771537 0.81 HTR2A (0.53) HTR2ASLC6A2SLC6A4SLC6A3TAAR1

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