SCHEMBL6547644

SCHEMBL6547644

CCC(C=Cc1ccccc1)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1B1 Q16678 1/20 0.40
UTS2R Q9UKP6 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PPARG P37231 1/20 0.37
EGFR P00533 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
MAPT P10636 1/20 0.37
HTR2A P28223 3/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 2/20 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
SCHEMBL6546314 0.93 CYP3A4 (0.41) MEN1KMT2ACYP1B1CYP1A2CYP3A4
SCHEMBL4615602 0.89 MEN1 (0.47) MEN1KMT2ACYP1A2CYP3A4ALDH1A1
SCHEMBL4615601 0.89 MEN1 (0.47) MEN1KMT2ACYP1A2CYP3A4ALDH1A1
SCHEMBL1405682 0.80 CYP1B1 (0.46) CYP1B1UTS2RCYP1A2CYP3A4CYP2C9
SCHEMBL28075065 0.77 CYP1A2 (0.46) MEN1KMT2ACYP1B1UTS2RCYP1A2
SCHEMBL7116007 0.77 CYP1B1 (0.43) CYP1B1UTS2RCYP1A2CYP3A4CYP2C9
SCHEMBL11676687 0.75 CYP1A2 (0.44) MEN1KMT2ACYP1A2HTR2ARELA
SCHEMBL4631564 0.75 CYP3A4 (0.47) MEN1KMT2ACYP1B1UTS2RCYP1A2
SCHEMBL4631562 0.75 CYP3A4 (0.47) MEN1KMT2ACYP1B1UTS2RCYP1A2
SCHEMBL11676685 0.75 CYP1A2 (0.44) MEN1KMT2ACYP1A2HTR2ARELA

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