SCHEMBL6546209

SCHEMBL6546209

CC(Cc1ccccc1)C(C)(C)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.48
TAAR1 Q96RJ0 4/20 0.48
SLC6A2 P23975 3/20 0.48
SLC6A4 P31645 2/20 0.48
SLC6A3 Q01959 2/20 0.48
MAOA P21397 1/20 0.48
CYP2A6 P11509 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
SLC18A2 Q05940 1/20 0.45
CYP2D6 P10635 1/20 0.45
TRPA1 O75762 3/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
EPHX1 P07099 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
HTR2A P28223 1/20 0.41
ADRA1A P35348 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
Water SCHEMBL7069224 0.79 TAAR1 (0.54) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL6682969 0.78 KIF11 (0.42) TAAR1CYP2D6LMNAMAPK1
SCHEMBL4447199 0.77 CYP2D6 (0.41) TAAR1CYP2D6TRPA1MAPK1
SCHEMBL28500872 0.77 CYP2D6 (0.41) TAAR1SLC6A2CYP2D6TRPA1MAPK1
SCHEMBL28216354 0.77 TAAR1 (0.50) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL28312162 0.77 CYP2D6 (0.44) TAAR1CYP2D6TRPA1MAPK1
SCHEMBL1684243 0.77 TAAR1 (0.56) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL15821748 0.77 CYP2D6 (0.41) TAAR1SLC6A2CYP2D6TRPA1MAPK1
SCHEMBL8380077 0.77 TAAR1 (0.50) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL11202922 0.76 HTT (0.48) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3

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