SCHEMBL9703918

SCHEMBL9703918

O=C(NOCCO)c1ccccc1C(=O)NOCCO

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.47
HDAC4 P56524 5/20 0.47
HDAC1 Q13547 5/20 0.47
HDAC7 Q8WUI4 5/20 0.47
HDAC2 Q92769 5/20 0.47
HDAC10 Q969S8 5/20 0.47
HDAC11 Q96DB2 5/20 0.47
HDAC8 Q9BY41 5/20 0.47
HDAC6 Q9UBN7 5/20 0.47
HDAC9 Q9UKV0 5/20 0.47
HDAC5 Q9UQL6 5/20 0.47
MAP2K1 Q02750 8/20 0.44
MAP2K2 P36507 3/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
CTSD P07339 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL143432 0.89 ALDH1A1 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3584492 0.85 HDAC3 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18153373 0.83 HDAC6 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1897651 0.82 NPC1 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29941199 0.81 MAP2K1 (0.52) MAP2K1MAP2K2
SCHEMBL9704727 0.79 KMT2A (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13242911 0.79 P2RX7 (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2902134 0.79 SMN1; SMN2 (0.50) MAP2K1NPC1MEN1KMT2A
SCHEMBL9445567 0.77 HDAC8 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13242904 0.76 P2RX7 (0.42) 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
WO-1992011307-A1 LATENT, HEAT-CURABLE EPOXY RESIN COMPOSITIONS CONTAINING METAL CARBOXYLATE CURING SYSTEMS HENKEL RESEARCH CORPORATION (US) 1992-07-09 WO disclosed