SCHEMBL6546729

SCHEMBL6546729

Cc1ccc(C(C)Cc2ccccc2)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.44
TAAR1 Q96RJ0 5/20 0.44
SLC18A2 Q05940 1/20 0.44
SLC6A2 P23975 2/20 0.42
MAOA P21397 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CYP2A6 P11509 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
THRB P10828 1/20 0.41
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.40
CASR P41180 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL6547130 0.83 NR3C1 (0.50) GAAMEN1KMT2A
SCHEMBL10633863 0.81 SIGMAR1 (0.50) SIGMAR1TAAR1SLC18A2SLC6A2MAOA
SCHEMBL6546230 0.81 NR3C1 (0.43) TAAR1SLC6A2SLC6A4SLC6A3GAA
Ammonia Solution, Strong SCHEMBL5299921 0.79 SIGMAR1 (0.48) SIGMAR1TAAR1SLC18A2SLC6A2MAOA
SCHEMBL8646458 0.79 CHRM1 (0.50) SIGMAR1TAAR1SLC18A2SLC6A2MAOA
Diphenylmethane SCHEMBL10899649 0.79 CASR (0.47) GAACYP2D6CASR
SCHEMBL8996446 0.78 NR3C1 (0.44) SLC6A2SLC6A4CASR
SCHEMBL9249660 0.78 KMT2A (0.44) CASRKMT2A
SCHEMBL28263806 0.75 TSHR (0.42) SLC6A2CASR
SCHEMBL5567608 0.75 KMT2A (0.42) SIGMAR1TAAR1SLC18A2CYP2D6MEN1

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