SCHEMBL6546895

SCHEMBL6546895

CCCCCc1c(C)cccc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCGR P47871 4/20 0.47
HSD11B1 P28845 1/20 0.44
KCNH2 Q12809 1/20 0.43
GPR84 Q9NQS5 1/20 0.41
CXCR5 P32302 1/20 0.41
SOAT1 P35610 2/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
MC4R P32245 1/20 0.40
PSMB5 P28074 1/20 0.39
HTR7 P34969 1/20 0.39
PTPN1 P18031 1/20 0.39
CNR1 P21554 1/20 0.39
TSHR P16473 1/20 0.39
SCN8A Q9UQD0 1/20 0.38
RARB P10826 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
Toluene SCHEMBL27833736 0.95 GCGR (0.43) GCGRHSD11B1KCNH2GPR84CXCR5
SCHEMBL15536291 0.95 PSMB5 (0.43) GCGRHSD11B1SOAT1PDCD1CD274
SCHEMBL5555116 0.91 GCGR (0.50) GCGRHSD11B1KCNH2GPR84SOAT1
SCHEMBL6546459 0.89 PDCD1 (0.43) CXCR5PDCD1CD274MC4RHTR7
SCHEMBL1024527 0.84 PDCD1 (0.47) GCGRHSD11B1GPR84PDCD1CD274
SCHEMBL11663991 0.83 PPARA (0.49) GCGRSOAT1PDCD1CD274
SCHEMBL1841356 0.83 GCGR (0.49) GCGRHSD11B1SOAT1PDCD1CD274
SCHEMBL1921651 0.83 PPARA (0.49) GCGRSOAT1PDCD1CD274
SCHEMBL4630089 0.83 GCGR (0.44) GCGRHSD11B1GPR84SOAT1PDCD1
SCHEMBL8157125 0.83 PPARA (0.49) GCGRSOAT1PDCD1CD274

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 6 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
CN-1173886-A Polyamic acid, polyimide film and liquid crystal aligning film and liquid crystal display element CHISSO CORP (JP) 1998-02-18 CN 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
CN-1031709-A OPTICALLY ACTIVE LIQUID CRYSTAL COMPONENTS HOFFMANN LA ROCHE (CH) 1989-03-15 CN disclosed