SCHEMBL6547005

SCHEMBL6547005

C=CCc1ccc(C)c(-c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 7/20 0.49
GABRB2 P47870 7/20 0.49
CNR2 P34972 6/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 4/20 0.49
MAPT P10636 3/20 0.49
GAA P10253 3/20 0.49
CNR1 P21554 2/20 0.49
PPARG P37231 2/20 0.49
PPARD Q03181 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH2 P05091 1/20 0.49
AKR1B1 P15121 1/20 0.49
HPGD P15428 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ALOX5 P09917 6/20 0.43
POLB P06746 1/20 0.43
GABRB1 P18505 1/20 0.43
RXRA P19793 1/20 0.43

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
SCHEMBL1849857 0.84 GABRA1 (0.50) GABRA1GABRB2CNR2MEN1KMT2A
SCHEMBL9274282 0.81 GABRA1 (0.50) GABRA1GABRB2CNR2MEN1KMT2A
SCHEMBL6547532 0.80 MAOB (0.39) GABRA1GABRB2MEN1KMT2AGAA
SCHEMBL333171 0.79 GABRA1 (0.73) GABRA1GABRB2CNR2MEN1KMT2A
SCHEMBL2208511 0.78 ESR2 (0.46) MEN1KMT2AALDH1A1GAAL3MBTL1
SCHEMBL23581447 0.78 GABRA1 (0.52) GABRA1GABRB2CNR2MEN1KMT2A
SCHEMBL3785998 0.77 CSNK2A1 (0.58) MEN1KMT2AGAAL3MBTL1LMNA
SCHEMBL14368297 0.76 GABRA1 (0.79) GABRA1GABRB2CNR2MEN1KMT2A
SCHEMBL27559267 0.76 GABRA1 (0.44) GABRA1GABRB2CNR2MEN1KMT2A
SCHEMBL2548493 0.76 MEN1 (0.44) GABRA1GABRB2CNR2MEN1KMT2A

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