SCHEMBL9842929

SCHEMBL9842929

CCCCc1ccc(NC(=O)CCC)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.73
HDAC3 O15379 2/20 0.71
HDAC4 P56524 2/20 0.71
HDAC1 Q13547 2/20 0.71
HDAC7 Q8WUI4 2/20 0.71
HDAC2 Q92769 2/20 0.71
HDAC10 Q969S8 2/20 0.71
HDAC11 Q96DB2 2/20 0.71
HDAC8 Q9BY41 2/20 0.71
HDAC6 Q9UBN7 2/20 0.71
HDAC9 Q9UKV0 2/20 0.71
HDAC5 Q9UQL6 2/20 0.71
HPGD P15428 4/20 0.69
NPC1 O15118 2/20 0.69
RAB9A P51151 2/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
ALDH1A1 P00352 2/20 0.68
TP53 P04637 1/20 0.66
MAPT P10636 1/20 0.58
MEN1 O00255 1/20 0.57

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
SCHEMBL4081226 0.93 POLB (0.73) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL13716202 0.93 POLB (0.73) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL8817395 0.89 HDAC3 (0.76) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL9312715 0.89 POLB (0.84) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL27663784 0.88 HPGD (0.67) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL2619349 0.88 POLB (0.76) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL4084296 0.87 POLB (0.66) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL25269210 0.87 ENPP2 (0.69) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL27909135 0.87 ENPP2 (0.69) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL8867035 0.86 HDAC3 (0.71) POLBHDAC3HDAC4HDAC1HDAC7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013148319-A1 BACTERIAL IMAGING AGENTS AND METHODS OF USING SAME VISEN MEDICAL, INC. (US) 2013-10-03 WO disclosed
EP-0440503-A1 4-Isoxazolecarboxamide derivatives SYNTEX (U.S.A.) INC. (US) 1991-08-07 EP disclosed