SCHEMBL19710516

SCHEMBL19710516

O=C(CCCC(=O)NO)Cc1ccc(O)c(O)c1O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 5/20 0.44
▸ HDAC3 O15379 3/20 0.44
▸ HDAC2 Q92769 3/20 0.44
▸ HDAC8 Q9BY41 3/20 0.44
▸ HDAC6 Q9UBN7 3/20 0.44
▸ HDAC5 Q9UQL6 2/20 0.44
▸ HDAC4 P56524 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ NCOR2 Q9Y618 1/20 0.39
▸ SELL P14151 1/20 0.39
▸ SELP P16109 1/20 0.39

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
SCHEMBL28400880 0.81 MEN1 (0.45) HDAC8HDAC6
SCHEMBL31383411 0.78 IAPP (0.55) —
SCHEMBL22982305 0.76 SELL (0.44) SELLSELP
SCHEMBL31618870 0.76 SELL (0.44) SELLSELP
SCHEMBL31383406 0.74 IAPP (0.53) —
SCHEMBL19692985 0.73 ERCC1 (0.44) HDAC1HDAC3HDAC2NCOR2
SCHEMBL28475321 0.70 SELL (0.45) SELLSELP
SCHEMBL31632680 0.70 SELL (0.41) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL26293601 0.70 SELL (0.41) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL28467454 0.70 IAPP (0.49) SELLSELP

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
WO-2017213897-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER CEDARS-SINAI MEDICAL CENTER (US) 2017-12-14 — — WO disclosed
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