SCHEMBL9150609

SCHEMBL9150609

COC(=O)c1c(-c2ccccc2)cc(C)c(C)c1C(=O)OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.55
ALDH1A1 P00352 5/20 0.50
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
LMNA P02545 3/20 0.50
HPGD P15428 2/20 0.50
PRKCZ Q05513 1/20 0.50
GABRA1 P14867 2/20 0.49
GABRG2 P18507 2/20 0.49
GABRB3 P28472 2/20 0.49
GABRA3 P34903 2/20 0.49
GABRA5 P31644 1/20 0.49
GRM6 O15303 1/20 0.49
GRM5 P41594 1/20 0.49
EGFR P00533 1/20 0.47
MAPT P10636 5/20 0.45
KDM4E B2RXH2 3/20 0.45
PPARG P37231 2/20 0.45
NCOR2 Q9Y618 2/20 0.45
PABPC1 P11940 1/20 0.45

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
SCHEMBL13228930 0.81 HTT (0.62) HTTALDH1A1MEN1KMT2ALMNA
SCHEMBL17459525 0.81 HTT (0.55) HTTALDH1A1MEN1KMT2ALMNA
SCHEMBL9153943 0.80 ESR2 (0.43) HTTMEN1KMT2APTGS1DHODH
SCHEMBL3576573 0.79 MEN1 (0.58) HTTALDH1A1MEN1KMT2ALMNA
SCHEMBL25550061 0.78 HTT (0.59) HTTALDH1A1MEN1KMT2ALMNA
SCHEMBL24682465 0.77 HTT (0.54) HTTALDH1A1MEN1KMT2ALMNA
SCHEMBL6053412 0.77 HTT (0.54) HTTALDH1A1MEN1KMT2ALMNA
SCHEMBL4827133 0.77 HTT (0.58) HTTALDH1A1MEN1KMT2ALMNA
SCHEMBL9153042 0.77 CA1 (0.41) HTTALDH1A1MEN1KMT2ALMNA
SCHEMBL8164412 0.77 GRM6 (0.46) HTTALDH1A1MEN1KMT2ALMNA

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-0439616-B1 METHOD OF PRODUCING 3,4,3',4'-SUBSTITUTED BIPHENYL COMPOUNDS UBE INDUSTRIES (JP) 1995-01-04 EP disclosed
US-5243067-A Oxidative coupling UBE INDUSTRIES, LTD. (JP) 1993-09-07 US disclosed
EP-0439616-A1 METHOD OF PRODUCING 3,4,3',4'-SUBSTITUTED BIPHENYL COMPOUNDS UBE INDUSTRIES, LTD. (JP) 1991-08-07 EP disclosed
US-3940426-A CRYSTALLIZATION OF ISOMERS UBE INDUSTRIES, LTD. (JA) 1976-02-24 US disclosed