SCHEMBL17447226

SCHEMBL17447226

COc1ccc(C(C)(C)c2ccc(OC(=O)COc3ccc(C4(c5ccc(OC(C)=O)cc5)CC(C)CC(C)(C)C4)cc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.43
LMNA P02545 1/20 0.43
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
TSHR P16473 3/20 0.40
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 3/20 0.34
MAPT P10636 3/20 0.34
HPGD P15428 3/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 2/20 0.33
HTT P42858 1/20 0.33
TP53 P04637 2/20 0.32
CYP1A2 P05177 1/20 0.32
PPARG P37231 1/20 0.32
HIF1A Q16665 1/20 0.32
MDH1 P40925 1/20 0.32

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
SCHEMBL15705247 0.88 ESR1 (0.46) GAALMNAESR1ESR2TSHR
SCHEMBL12021605 0.88 ESR1 (0.46) GAALMNAESR1ESR2TSHR
SCHEMBL12031847 0.88 ESR1 (0.46) GAALMNAESR1ESR2TSHR
SCHEMBL15705246 0.88 ESR1 (0.46) GAALMNAESR1ESR2TSHR
SCHEMBL22651381 0.85 ESR1 (0.56) GAALMNAESR1ESR2TSHR
SCHEMBL12021689 0.85 ESR1 (0.56) GAALMNAESR1ESR2TSHR
SCHEMBL13373969 0.82 GAA (0.48) GAALMNATDP1KMT2AMAPT
SCHEMBL19766172 0.81 ESR1 (0.61) GAALMNAESR1ESR2KMT2A
SCHEMBL14106818 0.79 ESR1 (0.46) GAAESR1ESR2TSHRKMT2A
SCHEMBL14064751 0.79 ESR1 (0.49) GAALMNAESR1ESR2TSHR

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-20160018746-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR, ELECTROPHOTOGRAPHIC PHOTORECEPTOR CARTRIDGE, AND IMAGE FORMATION DEVICE MITSUBISHI CHEMICAL CORPORATION (JP) 2016-01-21 US disclosed