SCHEMBL19984702

SCHEMBL19984702

COc1ccc(C(=O)CC(O)I)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.58
HDAC4 P56524 2/20 0.58
HDAC1 Q13547 2/20 0.58
HDAC7 Q8WUI4 2/20 0.58
HDAC2 Q92769 2/20 0.58
HDAC10 Q969S8 2/20 0.58
HDAC11 Q96DB2 2/20 0.58
HDAC8 Q9BY41 2/20 0.58
HDAC6 Q9UBN7 2/20 0.58
HDAC9 Q9UKV0 2/20 0.58
HDAC5 Q9UQL6 2/20 0.58
GSK3B P49841 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.55
MAPT P10636 1/20 0.53
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
PDE4B Q07343 1/20 0.51
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
NPC1 O15118 1/20 0.50

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
SCHEMBL5195610 0.86 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31274111 0.84 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5197181 0.83 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5194287 0.83 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29270113 0.82 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3830886 0.81 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6900403 0.81 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5195743 0.81 ALDH1A1 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6900410 0.81 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3829766 0.81 L3MBTL1 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2

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-2306986-B1 PRODRUGS AND DRUG-MACROMOLECULE CONJUGATES HAVING CONTROLLED DRUG RELEASE RATES PROLYNX LLC (US) 2018-03-21 EP disclosed