SCHEMBL6546124

SCHEMBL6546124

CCc1cccc(Cc2ccccc2)c1C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
CALM1 P0DP23 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTR2A P28223 1/20 0.44
CNR2 P34972 2/20 0.43
GPR55 Q9Y2T6 2/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX12 P18054 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
BCL2 P10415 1/20 0.42
BCL2L1 Q07817 1/20 0.42
CTRC Q99895 3/20 0.42
GABRA1 P14867 2/20 0.41
GABRB2 P47870 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 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
SCHEMBL7861886 0.91 CALM1 (0.52) CALM1SMN1; SMN2HTR2ACNR2GPR55
SCHEMBL8005691 0.89 TP53 (0.48) TP53CALM1SMN1; SMN2HTR2ACNR2
SCHEMBL6546450 0.86 GABRA1 (0.40) SMN1; SMN2CNR2ALDH1A1ALOX12GABRA1
SCHEMBL6546457 0.83 GABRA1 (0.46) CNR2GPR55GABRA1GABRB2
SCHEMBL1276090 0.83 CALM1 (0.48) CALM1SMN1; SMN2HTR2ACNR2GPR55
SCHEMBL6548117 0.82 HTR2A (0.56) TP53CALM1HTR2AL3MBTL1BCL2
SCHEMBL599099 0.82 GABRA1 (0.57) TP53L3MBTL1GABRA1GABRB2CYP3A4
SCHEMBL6546968 0.82 HTT (0.51) TP53SMN1; SMN2ALDH1A1GABRA1GABRB2
SCHEMBL27313616 0.82 PDCD1 (0.58) CALM1HTR2ACNR2GPR55L3MBTL1
SCHEMBL6546504 0.81 TLR8 (0.44) CALM1HTR2ACNR2GPR55

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