SCHEMBL8990182

SCHEMBL8990182

CC(C)CC(C)CC(c1cc(C(C)(C)C)cc(C(C)(C)C)c1O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 5/20 0.57
CYP2C9 P11712 4/20 0.57
CYP3A4 P08684 3/20 0.57
CYP1A2 P05177 3/20 0.57
TSHR P16473 3/20 0.57
HSP90AA1 P07900 1/20 0.36
NR5A2 O00482 1/20 0.35
NR5A1 Q13285 1/20 0.35
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.35
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.34
TYR P14679 1/20 0.34
GLRA3 O75311 1/20 0.34
GLRB P48167 1/20 0.34
GAA P10253 2/20 0.33
MAPK1 P28482 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
XBP1 P17861 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
SCHEMBL6397556 0.92 CYP2C19 (0.61) CYP2C19CYP2C9CYP3A4CYP1A2TSHR
SCHEMBL8851966 0.87 CYP2C19 (0.67) CYP2C19CYP2C9CYP3A4CYP1A2TSHR
SCHEMBL2164224 0.79 CYP2C19 (0.79) CYP2C19CYP2C9CYP3A4CYP1A2TSHR
SCHEMBL30962428 0.77 CYP1A2 (0.57) CYP2C19CYP2C9CYP3A4CYP1A2TSHR
SCHEMBL27322 0.77 CYP1A2 (0.57) CYP2C19CYP2C9CYP3A4CYP1A2TSHR
SCHEMBL31593162 0.77 CYP1A2 (0.57) CYP2C19CYP2C9CYP3A4CYP1A2TSHR
SCHEMBL6768184 0.77 CYP1A2 (0.57) CYP2C19CYP2C9CYP3A4CYP1A2TSHR
SCHEMBL31593161 0.77 CYP1A2 (0.57) CYP2C19CYP2C9CYP3A4CYP1A2TSHR
SCHEMBL4351378 0.76 SMN1; SMN2 (0.55) CYP2C19CYP2C9CYP3A4CYP1A2TSHR
SCHEMBL4594355 0.76 CYP2C19 (0.66) CYP2C19CYP2C9CYP3A4CYP1A2TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0509740-B1 Heat-developable photosensitive material and image forming method making use of the heat-developable photosensitive material CANON KK (JP) 1996-06-26 EP disclosed
US-5262295-A Biphenyldihydroxide reducing agent for silver halide emulsion layers CANON KABUSHIKI KAISHA (JP) 1993-11-16 US disclosed
EP-0509740-A1 Heat-developable photosensitive material and image forming method making use of the heat-developable photosensitive material CANON KABUSHIKI KAISHA (JP) 1992-10-21 EP disclosed