SCHEMBL11209459

SCHEMBL11209459

CCCCCCCCCCCCOc1ccc(O)c2cc(C)ccc12

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.51
THRB P10828 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMPD1 P17405 1/20 0.46
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
IDO1 P14902 1/20 0.43
THRA P10827 1/20 0.41
NR5A1 Q13285 1/20 0.41

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
SCHEMBL30003112 0.89 MAPT (0.51) ESR1THRBALDH1A1GAAMAPT
SCHEMBL23271926 0.89 MAPT (0.51) ESR1THRBALDH1A1GAAMAPT
SCHEMBL30002785 0.89 MAPT (0.51) ESR1THRBALDH1A1GAAMAPT
SCHEMBL23271714 0.89 MAPT (0.51) ESR1THRBALDH1A1GAAMAPT
SCHEMBL11211082 0.85 NR5A1 (0.53) ESR1SMPD1MEN1HTTKMT2A
SCHEMBL11216731 0.85 ESR1 (0.57) ESR1THRBALDH1A1SMPD1MEN1
SCHEMBL11218576 0.84 KCNA3 (0.48) ESR1THRBALDH1A1SMPD1MEN1
SCHEMBL11209737 0.83 CYSLTR2 (0.47) ESR1SMPD1MEN1HTTKMT2A
SCHEMBL9698937 0.83 ESR1 (0.54) ESR1THRBALDH1A1GAAMAPT
SCHEMBL9698430 0.83 ESR1 (0.54) ESR1THRBALDH1A1GAAMAPT

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-4419439-A ALKOXYNAPHTHOL DEVELOPER FUJI PHOTO FILM CO., LTD. (JP) 1983-12-06 US disclosed