SCHEMBL6546138

SCHEMBL6546138

CCc1cccc(/C=C/c2ccccc2)c1CC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHAT P28329 2/20 0.51
NFE2L2 Q16236 3/20 0.44
TRPA1 O75762 2/20 0.44
RELA Q04206 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
NPC1 O15118 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
BRD4 O60885 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
SCHEMBL3314632 1.00 CHAT (0.51) CHATNFE2L2TRPA1RELAPTGER4
SCHEMBL5528070 0.87 GABRA1 (0.40) CHATNFE2L2PTGER4PTGER3PTGER2
SCHEMBL5528076 0.86 CHAT (0.51) CHATNFE2L2TRPA1RELANPC1
SCHEMBL468924 0.85 CHAT (0.62) CHATNFE2L2TRPA1RELAPTGER4
SCHEMBL16105737 0.85 CHAT (0.62) CHATNFE2L2TRPA1RELAPTGER4
SCHEMBL6472671 0.85 CHAT (0.62) CHATNFE2L2TRPA1RELAPTGER4
SCHEMBL6546307 0.82 CHAT (0.51) CHATNFE2L2TRPA1RELAPTGER4
SCHEMBL30018391 0.81 GABRA1 (0.53) CHATNFE2L2TRPA1RELAPTGER4
SCHEMBL2108718 0.81 CHAT (0.50) CHATNFE2L2TRPA1RELAPTGER4
SCHEMBL11215662 0.79 GABRA1 (0.40) CHAT

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