SCHEMBL6546236

SCHEMBL6546236

C=C(c1ccccc1CC)c1ccccc1CC

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.48
GABRB2 P47870 2/20 0.48
CLCN2 P51788 1/20 0.43
TSHR P16473 2/20 0.41
ALDH1A1 P00352 4/20 0.40
HTT P42858 2/20 0.40
F2R P25116 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.39
MGLL Q99685 1/20 0.39
HPGD P15428 1/20 0.38
FOLH1 Q04609 1/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL6546961 0.89 HPGD (0.47) GABRA1GABRB2TSHRALDH1A1HTT
SCHEMBL10599801 0.89 ALDH1A1 (0.42) GABRA1GABRB2CLCN2TSHRALDH1A1
SCHEMBL6546180 0.87 MEN1 (0.42) GABRA1GABRB2CLCN2TSHRALDH1A1
SCHEMBL10600925 0.86 GABRA1 (0.41) GABRA1GABRB2CLCN2TSHRHTT
SCHEMBL29396009 0.86 GABRA1 (0.44) GABRA1GABRB2CLCN2TSHRALDH1A1
SCHEMBL25636336 0.86 GABRA1 (0.44) GABRA1GABRB2CLCN2TSHRALDH1A1
SCHEMBL721894 0.86 GABRA1 (0.44) GABRA1GABRB2CLCN2TSHRALDH1A1
SCHEMBL6548146 0.84 GABRA1 (0.41) GABRA1GABRB2CLCN2TSHRALDH1A1
SCHEMBL11853872 0.84 GABRA1 (0.43) GABRA1GABRB2CLCN2TSHRALDH1A1
SCHEMBL22624520 0.84 GABRA1 (0.43) GABRA1GABRB2CLCN2TSHRALDH1A1

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