SCHEMBL6546302

SCHEMBL6546302

CCCc1ccccc1/C=C/c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHAT P28329 4/20 0.50
NFE2L2 Q16236 4/20 0.47
TRPA1 O75762 3/20 0.47
RELA Q04206 2/20 0.43
PTGER4 P35408 1/20 0.42
PTGER3 P43115 1/20 0.42
PTGER2 P43116 1/20 0.42
MAOB P27338 1/20 0.38
GRM5 P41594 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
SCHEMBL6546316 1.00 CHAT (0.50) CHATNFE2L2TRPA1RELAPTGER4
SCHEMBL4316647 0.90 MITF (0.38) CHATNFE2L2PTGER4PTGER3PTGER2
SCHEMBL560985 0.89 CHAT (0.47) CHATNFE2L2TRPA1RELAPTGER4
SCHEMBL4326063 0.89 CHAT (0.47) CHATNFE2L2TRPA1RELAPTGER4
SCHEMBL7052951 0.87 CHAT (0.46) CHATNFE2L2TRPA1RELAPTGER4
SCHEMBL4316653 0.86 NFE2L2 (0.42) CHATNFE2L2TRPA1RELAPTGER4
SCHEMBL11352153 0.86 LIPG (0.49) CHATNFE2L2TRPA1
SCHEMBL28845923 0.86 LIPG (0.49) CHATNFE2L2TRPA1
SCHEMBL16105737 0.84 CHAT (0.62) CHATNFE2L2TRPA1RELAPTGER4
SCHEMBL6472671 0.84 CHAT (0.62) CHATNFE2L2TRPA1RELAPTGER4

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