SCHEMBL9999825

SCHEMBL9999825

CNCCCCCCNC(=O)c1ccc2cc(C(C)=O)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 8/20 0.58
▸ HDAC1 Q13547 8/20 0.58
▸ HDAC4 P56524 7/20 0.58
▸ HDAC2 Q92769 7/20 0.58
▸ HDAC8 Q9BY41 7/20 0.58
▸ HDAC6 Q9UBN7 7/20 0.58
▸ HDAC9 Q9UKV0 7/20 0.58
▸ HDAC7 Q8WUI4 5/20 0.58
▸ HDAC10 Q969S8 5/20 0.58
▸ HDAC11 Q96DB2 5/20 0.58
▸ HDAC5 Q9UQL6 5/20 0.58
▸ NPC1 O15118 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ OPRM1 P35372 1/20 0.47
▸ TMEM97 Q5BJF2 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MAPK1 P28482 1/20 0.46
▸ XDH P47989 1/20 0.46
▸ MEN1 O00255 1/20 0.46

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
SCHEMBL9999796 0.87 SMN1; SMN2 (0.62) HDAC3HDAC1HDAC4HDAC2HDAC8
SCHEMBL15237259 0.86 NPC1 (0.58) HDAC3HDAC1HDAC4HDAC2HDAC8
SCHEMBL15170741 0.86 NPC1 (0.58) HDAC3HDAC1HDAC4HDAC2HDAC8
SCHEMBL15235389 0.86 NPC1 (0.58) HDAC3HDAC1HDAC4HDAC2HDAC8
SCHEMBL15235382 0.86 NPC1 (0.58) HDAC3HDAC1HDAC4HDAC2HDAC8
SCHEMBL9925387 0.86 NPC1 (0.58) HDAC3HDAC1HDAC4HDAC2HDAC8
SCHEMBL13165401 0.81 ALDH1A1 (0.63) HDAC3HDAC1HDAC4HDAC2HDAC8
SCHEMBL12422572 0.79 HDAC1 (0.74) HDAC3HDAC1HDAC4HDAC2HDAC8
SCHEMBL15985477 0.79 XDH (0.51) HDAC3HDAC1HDAC4HDAC2HDAC8
SCHEMBL8479142 0.78 HDAC3 (0.64) HDAC3HDAC1HDAC4HDAC2HDAC8

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-20120053294-A1 SEMI-AROMATIC COPOLYAMIDE COMPOSITIONS WITH IMPROVED SALT RESISTANCE AND HIGH TEMPERTURE PROPERTIES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-01 — — US disclosed
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