SCHEMBL6547009

SCHEMBL6547009

CC(C)c1ccccc1C(C)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.52
TAAR1 Q96RJ0 5/20 0.52
SLC18A2 Q05940 1/20 0.52
SLC6A2 P23975 3/20 0.50
SLC6A4 P31645 2/20 0.50
SLC6A3 Q01959 2/20 0.50
MAOA P21397 1/20 0.50
CYP2A6 P11509 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
CYP2D6 P10635 2/20 0.47
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
HTR1A P08908 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
DRD2 P14416 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
CNR1 P21554 1/20 0.46
HTR2A P28223 1/20 0.46

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
SCHEMBL10603068 0.82 SIGMAR1 (0.50) SIGMAR1TAAR1SLC18A2SLC6A2SLC6A4
SCHEMBL10633863 0.81 SIGMAR1 (0.50) SIGMAR1TAAR1SLC18A2SLC6A2SLC6A4
SCHEMBL1868728 0.79 TSHR (0.64) SIGMAR1TAAR1SLC18A2SLC6A2SLC6A4
SCHEMBL3314729 0.79 SIGMAR1 (0.52) SIGMAR1TAAR1SLC18A2SLC6A2SLC6A4
Ammonia Solution, Strong SCHEMBL5299921 0.79 SIGMAR1 (0.48) SIGMAR1TAAR1SLC18A2SLC6A2SLC6A4
Benzene SCHEMBL3121322 0.78 GABRA1 (0.60) SLC6A2KMT2ACYP1A2CYP3A4TSHR
SCHEMBL9184537 0.78 PPARA (0.48) SIGMAR1TAAR1SLC18A2SLC6A2SLC6A4
SCHEMBL10599552 0.78 SIGMAR1 (0.52) SIGMAR1TAAR1SLC18A2SLC6A2SLC6A4
SCHEMBL6546197 0.78 SIGMAR1 (0.48) SIGMAR1TAAR1SLC18A2SLC6A2SLC6A4
Ammonia Solution, Strong SCHEMBL5304794 0.78 LMNA (0.51) SIGMAR1TAAR1SLC18A2SLC6A2SLC6A4

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