SCHEMBL6546504

SCHEMBL6546504

CCCCc1cccc(Cc2ccccc2)c1C

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.44
HTR2A P28223 1/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
CNR1 P21554 4/20 0.41
CNR2 P34972 4/20 0.41
LIPG Q9Y5X9 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
GPR55 Q9Y2T6 1/20 0.39
HSD11B1 P28845 1/20 0.38
HRH1 P35367 1/20 0.38
CALM1 P0DP23 1/20 0.38

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
SCHEMBL8095518 0.86 TLR8 (0.44) TLR8HTR2ALMNAHTTLIPG
SCHEMBL6547306 0.85 HTR2A (0.59) TLR8HTR2ALMNAHTTLIPG
SCHEMBL7861886 0.84 CALM1 (0.52) HTR2ACNR2GPR55HRH1CALM1
SCHEMBL10982682 0.84 LIPG (0.45) TLR8LIPG
SCHEMBL8087736 0.81 TLR8 (0.43) TLR8HTR2ALMNAHTTLIPG
SCHEMBL8093734 0.81 HTR2A (0.55) TLR8HTR2ALMNAHTTLIPG
SCHEMBL6546124 0.81 TP53 (0.46) HTR2ACNR2GPR55CALM1
SCHEMBL8095162 0.81 TLR8 (0.49) TLR8HTR2ACNR1CNR2LIPG
SCHEMBL7114512 0.79 ALOX5 (0.46) HTR2ACNR2GPR55CALM1
SCHEMBL22471642 0.79 HTR2A (0.57) TLR8HTR2ALMNAHTTCNR1

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