SCHEMBL6546112

SCHEMBL6546112

Cc1ccc(Cc2ccccc2CC(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.44
GABRB2 P47870 2/20 0.44
SLC6A4 P31645 4/20 0.41
SLC6A2 P23975 3/20 0.41
SLC6A3 Q01959 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.38
HTR2A P28223 1/20 0.37
KEAP1 Q14145 1/20 0.37
SLC5A2 P31639 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC5A1 P13866 1/20 0.36

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
SCHEMBL6546971 0.86 HTR2A (0.50) GABRA1GABRB2SLC6A4SLC6A2SLC6A3
SCHEMBL9403954 0.85 SLC6A2 (0.47) SLC6A4SLC6A2SLC6A3POLBHTR2A
SCHEMBL27473697 0.83 GABRA1 (0.42) GABRA1GABRB2SLC6A4SLC6A2SLC6A3
SCHEMBL2140027 0.81 HTR2A (0.54) SLC6A4SLC6A2SLC6A3SMN1; SMN2POLB
SCHEMBL11464452 0.81 GABRA1 (0.56) GABRA1GABRB2SLC6A4SLC6A2SLC6A3
SCHEMBL6546120 0.80 GABRA1 (0.47) GABRA1GABRB2SLC6A4SLC6A2SLC6A3
SCHEMBL840750 0.78 GABRA1 (0.64) GABRA1GABRB2SLC6A4SLC6A2SLC6A3
SCHEMBL6547993 0.78 POLB (0.45) SLC6A4SLC6A2SLC6A3SMN1; SMN2POLB
SCHEMBL6546117 0.77 PTGS1 (0.44) GABRA1GABRB2HTR2ATSHR
SCHEMBL6378299 0.77 POLB (0.51) POLBKEAP1SLC5A2CYP3A4CYP2D6

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