SCHEMBL6546074

SCHEMBL6546074

C=C(Cc1cccc(C)c1C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
MAOA P21397 6/20 0.39
MAOB P27338 6/20 0.39
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTGS2 P35354 1/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
CTBP2 P56545 1/20 0.37
TRPA1 O75762 1/20 0.36
ATM Q13315 1/20 0.36
GLA P06280 1/20 0.35
STING1 Q86WV6 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
SCHEMBL28804356 0.87 HPGD (0.47) ALDH1A1HPGDMAOAMAOBMAPT
SCHEMBL6547302 0.84 GABRA1 (0.39) ALDH1A1HPGDMAOAMAOBMAPT
SCHEMBL3468116 0.79 ALDH1A1 (0.47) ALDH1A1HPGDGAAMAPTMAPK1
SCHEMBL6547299 0.76 MAOA (0.40) MAOAMAOBATM
SCHEMBL6546362 0.76 MAOA (0.42) ALDH1A1MAOAMAOBMAPTATM
SCHEMBL11389910 0.75 CTBP2 (0.44) ALDH1A1HPGDESR1ESR2GAA
SCHEMBL18676622 0.74 ESR1 (0.41) ALDH1A1ESR1ESR2TP53GAA
SCHEMBL6546078 0.74 RAB9A (0.43) MAOAMAOBMAPT
SCHEMBL3360365 0.73 ESR1 (0.43) ALDH1A1ESR1ESR2TP53GAA
SCHEMBL228994 0.73 PTGS2 (0.57) ESR1ESR2GAAMAPTPTGS2

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