SCHEMBL1306597

SCHEMBL1306597

CC(CCCC=C(COc1cccc2ccccc12)C(=O)NCCc1ccc(F)cc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAAT3 P53816 1/20 0.39
▸ PLAAT5 Q96KN8 1/20 0.39
▸ PLAAT2 Q9NWW9 1/20 0.39
▸ PLAAT4 Q9UL19 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ MAPT P10636 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ADAMTS5 Q9UNA0 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 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
SCHEMBL1306596 0.93 ADAMTS5 (0.39) PLAAT3PLAAT5PLAAT2PLAAT4POLB
SCHEMBL1306111 0.92 PTPN1 (0.46) PLAAT3PLAAT5PLAAT2PLAAT4POLB
SCHEMBL1306562 0.86 HPGD (0.44) LMNAKMT2AKDM4EALDH1A1HPGD
SCHEMBL1307959 0.86 KDM4E (0.46) PLAAT3PLAAT5PLAAT2PLAAT4POLB
SCHEMBL1307956 0.86 KDM4E (0.46) PLAAT3PLAAT5PLAAT2PLAAT4POLB
SCHEMBL1306149 0.85 KMT2A (0.43) POLBLMNAKMT2AKDM4EALDH1A1
SCHEMBL1306816 0.85 LMNA (0.47) POLBLMNAKMT2AKDM4EALDH1A1
SCHEMBL1306595 0.84 CNR2 (0.41) PLAAT3PLAAT5PLAAT2PLAAT4POLB
SCHEMBL1308956 0.84 ALDH1A1 (0.40) LMNAKMT2AKDM4EALDH1A1HPGD
SCHEMBL1306593 0.84 CNR2 (0.41) PLAAT3PLAAT5PLAAT2PLAAT4POLB

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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