SCHEMBL6547503

SCHEMBL6547503

CCC(C)Cc1ccccc1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
TRPA1 O75762 1/20 0.43
TAAR1 Q96RJ0 4/20 0.42
SIGMAR1 Q99720 3/20 0.42
SLC18A2 Q05940 1/20 0.42
CALM1 P0DP23 1/20 0.41
SLC6A2 P23975 2/20 0.41
MAOA P21397 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CYP2A6 P11509 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41

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
SCHEMBL7630641 0.85 GABRA1 (0.39) TRPA1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL6546971 0.82 HTR2A (0.50) HTR2AL3MBTL1TAAR1SIGMAR1SLC18A2
SCHEMBL6547498 0.80 SIGMAR1 (0.50) TRPA1TAAR1SIGMAR1SLC18A2CALM1
SCHEMBL19120903 0.79 SLC6A2 (0.40) L3MBTL1TRPA1SLC6A2SLC6A4
Benzene SCHEMBL3082124 0.79 TRPA1 (0.57) HTR2ATRPA1TAAR1SIGMAR1SLC18A2
SCHEMBL28051645 0.79 TRPA1 (0.57) HTR2ATRPA1TAAR1SIGMAR1SLC18A2
SCHEMBL199315 0.79 TRPA1 (0.57) HTR2ATRPA1TAAR1SIGMAR1SLC18A2
SCHEMBL4384859 0.78 SLC6A4 (0.63) HTR2ATAAR1SIGMAR1SLC6A2MAOA
SCHEMBL7739069 0.78 TAAR1 (0.43) TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL477350 0.76 CYP4F2 (0.40) TRPA1SLC6A2SLC6A4SLC6A3

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