SCHEMBL1305479

SCHEMBL1305479

Cc1cc(C=C(COc2cccc3ccccc23)C(=O)NCCCN2CCOCC2)ccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.47
▸ TSHR P16473 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ ALB P02768 1/20 0.45
▸ MCL1 Q07820 1/20 0.45
▸ CNR1 P21554 3/20 0.44
▸ FAAH O00519 2/20 0.44
▸ DRD2 P14416 2/20 0.44
▸ DRD3 P35462 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL1306577 0.93 DRD3 (0.46) CNR1FAAHDRD2DRD3
SCHEMBL1305638 0.89 MAPT (0.51) MAPTTSHRLMNAALBMCL1
SCHEMBL1305640 0.89 MAPT (0.51) MAPTTSHRLMNAALBMCL1
SCHEMBL1305476 0.86 MAPT (0.49) MAPTTSHRLMNACNR1FAAH
SCHEMBL1306490 0.85 KDM4E (0.47) TSHRLMNASMN1; SMN2KMT2A
SCHEMBL1305681 0.84 MAPT (0.49) MAPTTSHRLMNAPOLBSMN1; SMN2
SCHEMBL1305680 0.84 MAPT (0.49) MAPTTSHRLMNAPOLBSMN1; SMN2
SCHEMBL1306652 0.84 LMNA (0.43) MAPTTSHRLMNACNR1FAAH
SCHEMBL1307055 0.83 ALDH1A1 (0.47) MAPTLMNASMN1; SMN2KMT2A
SCHEMBL1306803 0.82 HPGD (0.43) MAPTTSHRLMNAMCL1POLB

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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