SCHEMBL1306596

SCHEMBL1306596

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 1/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ PLAAT3 P53816 1/20 0.39
▸ PLAAT5 Q96KN8 1/20 0.39
▸ PLAAT2 Q9NWW9 1/20 0.39
▸ PLAAT4 Q9UL19 1/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 3/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MEN1 O00255 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CARM1 Q86X55 1/20 0.36
▸ PRMT6 Q96LA8 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ OGG1 O15527 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL1306597 0.93 PLAAT3 (0.39) ADAMTS5KMT2APLAAT3PLAAT5PLAAT2
SCHEMBL1306111 0.92 PTPN1 (0.46) KMT2APLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL1306562 0.86 HPGD (0.44) KMT2AKDM4EALDH1A1HPGDTDP1
SCHEMBL1307535 0.86 ALDH1A1 (0.46) ADAMTS5KMT2APLAAT3PLAAT5PLAAT2
SCHEMBL1307532 0.86 ALDH1A1 (0.46) ADAMTS5KMT2APLAAT3PLAAT5PLAAT2
SCHEMBL1306816 0.85 LMNA (0.47) KMT2AKDM4EALDH1A1HPGDTDP1
SCHEMBL1308956 0.84 ALDH1A1 (0.40) KMT2AKDM4EALDH1A1HPGDTDP1
SCHEMBL1306594 0.84 CNR2 (0.41) ADAMTS5KMT2APLAAT3PLAAT5PLAAT2
SCHEMBL1306591 0.84 CNR2 (0.41) ADAMTS5KMT2APLAAT3PLAAT5PLAAT2
SCHEMBL1307181 0.84 ALDH1A1 (0.43) ADAMTS5KMT2AKDM4EALDH1A1HPGD

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
Send feedback