SCHEMBL8686830

SCHEMBL8686830

OCCCCOc1ccc(C2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
PDK2 Q15119 5/20 0.43
ALDH1A1 P00352 1/20 0.42
RECQL P46063 1/20 0.42
KCNA3 P22001 2/20 0.41
GPR174 Q9BXC1 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
PRSS1 P07477 1/20 0.38
FGFR1 P11362 1/20 0.37
SRC P12931 1/20 0.37
GAA P10253 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
F2 P00734 1/20 0.37
PLAU P00749 1/20 0.37
PRMT1 Q99873 1/20 0.37
ST14 Q9Y5Y6 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
SCHEMBL8681925 0.95 ESR1 (0.44) ESR1ESR2PDK2ALDH1A1RECQL
SCHEMBL30985950 0.90 ALDH1A1 (0.53) ESR1ESR2PDK2ALDH1A1RECQL
SCHEMBL577071 0.90 ALDH1A1 (0.53) ESR1ESR2PDK2ALDH1A1RECQL
SCHEMBL2481498 0.85 ESR1 (0.41) ESR1ESR2PDK2ALDH1A1RECQL
SCHEMBL28233468 0.83 LTA4H (0.53) GPR174GAA
SCHEMBL4272491 0.82 ESR1 (0.45) ESR1ESR2PDK2ALDH1A1RECQL
SCHEMBL29586924 0.81 ALDH1A1 (0.44) ESR1ESR2PDK2ALDH1A1RECQL
SCHEMBL5796673 0.77 L3MBTL1 (0.42) ESR1ESR2RECQLGPR174
SCHEMBL10731573 0.75 KCNA3 (0.55) ALDH1A1RECQLKCNA3PRSS1GAA
SCHEMBL577600 0.75 PRKAB2 (0.37) ESR1ESR2PDK2ALDH1A1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5780194-A PHOTOSENSITIVE LAYER OF POLYESTER BINDING RESIN, ELECTRIC CHARGE GENERATING MATERIAL, AND HOLE TRANSFERRING MATERIAL MITA INDUSTRIAL CO., LTD. (JP) 1998-07-14 US disclosed