SCHEMBL11038520

SCHEMBL11038520

O=C(O)CCCCCNC(=O)c1cc(O)ccc1O

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.72
MAPK1 P28482 1/20 0.58
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
ALOX5 P09917 3/20 0.53
EGFR P00533 2/20 0.53
PTGS2 P35354 2/20 0.53
SYK P43405 2/20 0.53
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NR1H4 Q96RI1 2/20 0.50
LMNA P02545 1/20 0.50
CDK1 P06493 1/20 0.50
PPARG P37231 1/20 0.48

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
SCHEMBL5655974 1.00 NAAA (0.72) NAAAMAPK1KDM4EALDH1A1POLB
SCHEMBL8656148 0.94 NAAA (0.67) NAAAMAPK1KDM4EALDH1A1ALOX5
SCHEMBL11026787 0.88 MAPK1 (0.58) NAAAMAPK1KDM4EALDH1A1POLB
SCHEMBL5656378 0.88 MAPK1 (0.58) NAAAMAPK1KDM4EALDH1A1POLB
SCHEMBL14289170 0.86 NAAA (0.57) NAAAMAPK1KDM4EALDH1A1POLB
SCHEMBL446310 0.86 CDK1 (0.70) NAAAMAPK1KDM4EALDH1A1POLB
SCHEMBL2164508 0.86 NAAA (0.57) NAAAMAPK1KDM4EALDH1A1POLB
SCHEMBL2158919 0.86 ALDH1A1 (0.64) NAAAMAPK1KDM4EALDH1A1POLB
SCHEMBL30481047 0.86 MAPK1 (0.63) NAAAMAPK1KDM4EALDH1A1POLB
SCHEMBL31661686 0.86 NAAA (0.57) NAAAMAPK1KDM4EALDH1A1POLB

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