SCHEMBL14714889

SCHEMBL14714889

CNC(=O)C(C)(NC(=O)c1ccc(-c2ccc(C)cc2)c(C)c1)C(=O)NO

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HSD17B1 P14061 1/20 0.37
SCN9A Q15858 1/20 0.35
KDM1A O60341 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 1/20 0.34
DGAT1 O75907 1/20 0.34
RARB P10826 1/20 0.34

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
SCHEMBL14714600 0.76 NPC1 (0.46) HDAC1HDAC6NPC1RAB9A
SCHEMBL19102622 0.69 HDAC2 (0.39) HDAC1HDAC6RAB9ARARB
SCHEMBL19102817 0.67 GABRP (0.36) HDAC6
SCHEMBL14714891 0.66
SCHEMBL17435483 0.66 HDAC2 (0.34) HDAC6
SCHEMBL5391734 0.66 HDAC1 (0.49) HDAC1HDAC6HSD17B1KDM1A
SCHEMBL6668052 0.65 EGLN1 (0.51) HSD17B1KDM1AALDH1A1
SCHEMBL19102623 0.65 ACACB (0.35)
SCHEMBL19102813 0.65 ACACB (0.37) HDAC1HDAC6RARB
SCHEMBL9426036 0.64 GAA (0.44) HDAC1HDAC6NPC1RAB9AATM

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
EP-2562155-A1 NOVEL HYDROXAMIC ACID DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2013-02-27 EP disclosed