SCHEMBL6546314

SCHEMBL6546314

CCC(C=Cc1ccc(C)cc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
NFE2L2 Q16236 2/20 0.39
CYP1A2 P05177 1/20 0.39
TRPM8 Q7Z2W7 2/20 0.37
LMNA P02545 1/20 0.37
CYP1B1 Q16678 1/20 0.37
RELA Q04206 1/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
FGF23 Q9GZV9 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 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
SCHEMBL6547644 0.93 MEN1 (0.43) CYP3A4CYP2C9CYP2C19ALDH1A1HPGD
SCHEMBL4615602 0.89 MEN1 (0.47) CYP3A4ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL4615601 0.89 MEN1 (0.47) CYP3A4ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL31457125 0.77 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19ALDH1A1HPGD
SCHEMBL6546308 0.76 ALDH1A1 (0.38) ALDH1A1MAPTKMT2AMEN1CYP1A2
SCHEMBL6546326 0.76 ALDH1A1 (0.38) ALDH1A1MAPTKMT2AMEN1CYP1A2
SCHEMBL11676687 0.75 CYP1A2 (0.44) KMT2AMEN1CYP1A2RELA
SCHEMBL4630868 0.75 CYP3A4 (0.51) CYP3A4CYP2C9CYP2C19ALDH1A1HPGD
SCHEMBL11676685 0.75 CYP1A2 (0.44) KMT2AMEN1CYP1A2RELA
SCHEMBL4630867 0.75 CYP3A4 (0.51) CYP3A4CYP2C9CYP2C19ALDH1A1HPGD

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