SCHEMBL9512103

SCHEMBL9512103

[CH]c1cccc(OC(C)=O)c1OC(C)=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.61
PTPN1 P18031 1/20 0.49
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.47
BLM P54132 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
APEX1 P27695 1/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PTGS2 P35354 4/20 0.47
HSD17B10 Q99714 3/20 0.47
HPGD P15428 2/20 0.47
ESR1 P03372 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
HMGB1 P09429 1/20 0.47

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
SCHEMBL10351036 1.00 MAPK1 (0.61) MAPK1PTPN1KDM4EALDH1A1BLM
SCHEMBL5212814 0.86 MAPK1 (0.71) MAPK1PTPN1KDM4EALDH1A1BLM
SCHEMBL7937063 0.82 PTGS2 (0.57) MAPK1KDM4EALDH1A1BLMTDP1
SCHEMBL10808312 0.78 MAPK1 (0.62) MAPK1PTPN1KDM4EALDH1A1BLM
SCHEMBL29940577 0.78 PTPN1 (0.68) MAPK1PTPN1KDM4EALDH1A1BLM
SCHEMBL29350633 0.78 MAPK1 (0.62) MAPK1PTPN1KDM4EALDH1A1BLM
SCHEMBL1143040 0.78 PTPN1 (0.68) MAPK1PTPN1KDM4EALDH1A1BLM
SCHEMBL2875254 0.78 MAPK1 (0.62) MAPK1PTPN1KDM4EALDH1A1BLM
SCHEMBL3939105 0.78 MAPK1 (0.72) MAPK1PTPN1KDM4EALDH1A1BLM
SCHEMBL9297160 0.77 MAPK1 (0.61) MAPK1PTPN1KDM4EALDH1A1BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0147174-B1 DIHYDROXYBENZALDEHYDE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1990-06-27 EP claimed
US-4758591-A Dialkanoyloxybenzylidene dialkanoate KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-07-19 US claimed
EP-0147174-A2 Dihydroxybenzaldehyde derivatives as anti-inflammatory agents KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1985-07-03 EP claimed
EP-0357092-B1 Preparation of diacetoxybenzylidene diacetates KUREHA CHEMICAL IND CO LTD (JP) 1993-10-27 EP disclosed
EP-0147174-B1 DIHYDROXYBENZALDEHYDE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1990-06-27 EP disclosed
EP-0357092-A1 Preparation of diacetoxybenzylidene diacetates KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1990-03-07 EP disclosed
EP-0357092-A1 Preparation of diacetoxybenzylidene diacetates KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1990-03-07 EP disclosed
US-4841097-A REACTING DIHYDROXYBENZALDEHYDE WITH ALKANOIC ACID ANHYDRIDE KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1989-06-20 US disclosed
US-4758591-A Dialkanoyloxybenzylidene dialkanoate KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-07-19 US disclosed
EP-0147174-A2 Dihydroxybenzaldehyde derivatives as anti-inflammatory agents KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1985-07-03 EP disclosed