SCHEMBL11041409

SCHEMBL11041409

O=C(NCC1CCC(C(=O)O)CC1)c1cc(O)cc(O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
MMP12 P39900 4/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.44

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
SCHEMBL8598520 0.81 HDAC3 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7487285 0.81 HDAC3 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11025263 0.81 HDAC6 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11029166 0.81 HDAC6 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5694343 0.80 MEN1 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8595899 0.78 TDP1 (0.74) MEN1KMT2AMAPK14TDP1
SCHEMBL11028825 0.77 KDM4E (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11025646 0.77 ALDH1A1 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10099565 0.76 CYP1A2 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11021806 0.75 HDAC3 (0.47) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0059108-B1 DERIVATIVES OF DIHYDROXYBENZOIC ACID KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1985-08-14 EP disclosed
US-4409240-A ANTICOAGULANTS, ANTIINFLAMMATORY AGENTS, HYPOTENSIVE AGENTS, BRONCHODILATOR, AND ANTIARTHRITIC AGENTS KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1983-10-11 US disclosed
EP-0059108-A1 Derivatives of dihydroxybenzoic acid KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1982-09-01 EP disclosed