SCHEMBL6546906

SCHEMBL6546906

Cc1ccc(Cc2ccccc2C(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
LPAR1 Q92633 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.38
GABRA1 P14867 2/20 0.38
GABRB2 P47870 1/20 0.38
KEAP1 Q14145 1/20 0.37
SLC5A2 P31639 2/20 0.37
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 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
KCNN2 Q9H2S1 1/20 0.36
KCNN3 Q9UGI6 1/20 0.36
SLC5A1 P13866 1/20 0.36
IDO1 P14902 1/20 0.35

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
SCHEMBL9621605 0.89 SMN1; SMN2 (0.39) SMN1; SMN2POLBKEAP1SLC5A2HTR2A
SCHEMBL6546687 0.86 L3MBTL1 (0.47) CNR2GPR55GABRA1GABRB2HTR2A
SCHEMBL23457325 0.85 SMN1; SMN2 (0.37) SMN1; SMN2POLBKEAP1SLC5A2HTR2A
SCHEMBL24203430 0.85 SLC5A1 (0.42) CNR2GPR55GABRA1GABRB2KEAP1
Hydrogen Peroxide SCHEMBL29140083 0.84 L3MBTL1 (0.50) CNR2GPR55GABRA1GABRB2HTR2A
SCHEMBL6547477 0.84 TSHR (0.47) SMN1; SMN2POLBKEAP1SLC5A2HTR2A
SCHEMBL28261836 0.81 GABRA1 (0.48) GPR55LPAR1GABRA1GABRB2SLC6A4
SCHEMBL9403954 0.81 SLC6A2 (0.47) POLBKEAP1SLC5A2HTR2ASLC6A4
SCHEMBL3005129 0.80 CYSLTR2 (0.40) LPAR1HTR2AL3MBTL1
SCHEMBL28445762 0.80 LTA4H (0.56) SMN1; SMN2SLC6A4L3MBTL1

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