SCHEMBL11029166

SCHEMBL11029166

O=C(NCC1CCC(C(=O)O)CC1)c1ccc(O)c(O)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.52
HDAC3 O15379 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC5 Q9UQL6 2/20 0.52
MAPK14 Q16539 8/20 0.50
MMP12 P39900 1/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CA2 P00918 1/20 0.45
HSPB1 P04792 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAPK11 Q15759 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
SCHEMBL11025263 1.00 HDAC6 (0.52) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL11022766 0.88 HDAC6 (0.51) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL11023693 0.83 MAPK14 (0.47) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL11041409 0.81 HDAC3 (0.49) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL7487285 0.81 HDAC3 (0.64) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL8598520 0.81 HDAC3 (0.64) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL140390 0.80 EGFR (0.53) HDAC6MAPK14MEN1KMT2ACA2
SCHEMBL6248105 0.80 EGFR (0.53) HDAC6MAPK14MEN1KMT2ACA2
SCHEMBL11028825 0.80 KDM4E (0.50) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL20869041 0.79 MAPK14 (0.49) HDAC6HDAC3HDAC4HDAC1HDAC7

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 7 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 claimed
EP-0059108-A1 Derivatives of dihydroxybenzoic acid KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1982-09-01 EP claimed
JP-57140754-A None JP disclosed
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
JP-S57140754-A DIHYDROXYBENZOIC ACID DERIVATIVE AND PHYSIOLOGICALLY ACTIVE PREPARATION CONTAINING THE SAME KUREHA CHEM IND CO LTD 1982-08-31 JP disclosed