SCHEMBL6546663

SCHEMBL6546663

CCC/C=C/c1ccc(-c2ccccc2)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.46
GAA P10253 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
PDE5A O76074 1/20 0.37
BRD4 O60885 1/20 0.36
ESR1 P03372 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
TNKS2 Q9H2K2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33

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
SCHEMBL6546673 0.87 TLR8 (0.42) TLR8GAAL3MBTL1PDE5ABRD4
SCHEMBL457253 0.78 PDE5A (0.48) TLR8PDE5AESR1KDM4EALDH1A1
SCHEMBL1882899 0.77 TLR8 (0.46) TLR8GAAKDM4EALDH1A1MEN1
SCHEMBL1882900 0.77 TLR8 (0.46) TLR8GAAKDM4EALDH1A1MEN1
SCHEMBL28386776 0.75 CA1 (0.46) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6547635 0.75 TLR8 (0.43) TLR8GAAPDE5ABRD4KDM4E
SCHEMBL29113957 0.75 ESR1 (0.48) GAAESR1KDM4EALDH1A1MEN1
SCHEMBL9632106 0.73 FDPS (0.39) PDCD1CD274PPARGPPARASLC1A3
SCHEMBL9632097 0.73 FDPS (0.39) PDCD1CD274PPARGPPARASLC1A3
SCHEMBL1469238 0.73 TLR8 (0.43) TLR8

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