SCHEMBL1305476

SCHEMBL1305476

COC(=O)c1ccc(/C=C(\COc2cccc3ccccc23)C(=O)NCCCN2CCOCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.49
▸ LMNA P02545 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ TSHR P16473 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ FAAH O00519 1/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ CNR1 P21554 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL1306574 0.93 TDP1 (0.46) MAPTFAAHDRD2CNR1DRD3
SCHEMBL1305638 0.92 MAPT (0.51) MAPTLMNAPOLBKMT2ATSHR
SCHEMBL1305640 0.92 MAPT (0.51) MAPTLMNAPOLBKMT2ATSHR
SCHEMBL1305681 0.90 MAPT (0.49) MAPTLMNAPOLBKMT2ATSHR
SCHEMBL1305680 0.90 MAPT (0.49) MAPTLMNAPOLBKMT2ATSHR
SCHEMBL1305479 0.86 MAPT (0.47) MAPTLMNAPOLBKMT2ATSHR
SCHEMBL1306488 0.84 L3MBTL1 (0.48) MAPTLMNAKMT2ATSHRALDH1A1
SCHEMBL2891106 0.84 TDP1 (0.47) MAPTPOLBKMT2AMEN1FAAH
SCHEMBL2891102 0.84 TDP1 (0.47) MAPTPOLBKMT2AMEN1FAAH
SCHEMBL1306651 0.83 SCN1A (0.43) MAPTLMNATSHRALDH1A1CYP2D6

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-8053435-B2 Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-11-08 — — US disclosed
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