SCHEMBL11025784

SCHEMBL11025784

O=C(O)CCCCCNC(=O)c1cc(O)cc(O)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.71
KDM4E B2RXH2 3/20 0.71
ALDH1A1 P00352 2/20 0.71
MAPK1 P28482 2/20 0.70
HPGD P15428 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
CYP1A2 P05177 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
FABP4 P15090 1/20 0.59
LMNA P02545 1/20 0.58
HDAC1 Q13547 3/20 0.55
ATM Q13315 1/20 0.53
PRMT1 Q99873 1/20 0.52
HDAC6 Q9UBN7 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51

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
SCHEMBL5655267 1.00 POLB (0.71) POLBKDM4EALDH1A1MAPK1HPGD
SCHEMBL24316125 0.88 MAPK1 (0.76) POLBKDM4EALDH1A1MAPK1HPGD
SCHEMBL5657986 0.84 LMNA (0.72) POLBKDM4EALDH1A1MAPK1HPGD
SCHEMBL30481056 0.84 LMNA (0.72) POLBKDM4EALDH1A1MAPK1HPGD
SCHEMBL5658185 0.83 MAPK1 (0.87) POLBKDM4EALDH1A1MAPK1HPGD
SCHEMBL29186487 0.83 KDM4E (1.00) POLBKDM4EALDH1A1MAPK1HPGD
SCHEMBL30825085 0.83 KDM4E (1.00) POLBKDM4EALDH1A1MAPK1HPGD
SCHEMBL12019215 0.83 MEN1 (0.54) POLBKDM4EALDH1A1MAPK1HPGD
SCHEMBL428355 0.82 MAPK1 (1.00) POLBKDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL18409238 0.82 FABP4 (0.77) POLBKDM4EALDH1A1MAPK1HPGD

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