SCHEMBL1306595

SCHEMBL1306595

COC(=O)CCCCC=C(COc1cccc2ccccc12)C(=O)NCCc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.41
▸ PLAAT3 P53816 1/20 0.41
▸ PLAAT5 Q96KN8 1/20 0.41
▸ PLAAT2 Q9NWW9 1/20 0.41
▸ PLAAT4 Q9UL19 1/20 0.41
▸ KDM4E B2RXH2 4/20 0.40
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ HPGD P15428 4/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ MCL1 Q07820 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ PTPN1 P18031 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ OGG1 O15527 1/20 0.38

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
SCHEMBL1306593 1.00 CNR2 (0.41) CNR2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL1306591 0.93 CNR2 (0.41) CNR2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL1306594 0.93 CNR2 (0.41) CNR2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL1306109 0.92 HPGD (0.48) CNR2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL1306108 0.92 HPGD (0.48) CNR2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL1307959 0.91 KDM4E (0.46) CNR2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL1307956 0.91 KDM4E (0.46) CNR2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL29488477 0.90 LMNA (0.42) PLAAT3PLAAT5PLAAT2PLAAT4KDM4E
SCHEMBL1305361 0.90 LMNA (0.42) PLAAT3PLAAT5PLAAT2PLAAT4KDM4E
SCHEMBL1305364 0.90 LMNA (0.42) PLAAT3PLAAT5PLAAT2PLAAT4KDM4E

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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