SCHEMBL9725154

SCHEMBL9725154

CC(=O)N(C(C)=O)C(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.50
CES1 P23141 3/20 0.50
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
HSD11B1 P28845 1/20 0.47
TSHR P16473 3/20 0.46
DAO P14920 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
HSD17B10 Q99714 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
POLB P06746 2/20 0.44
RAB9A P51151 3/20 0.42
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP3A4 P08684 1/20 0.42
PARP1 P09874 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
Thiourea SCHEMBL15399733 0.90 MAPT (0.45) CES2CES1ALDH1A1HPGDHSD11B1
SCHEMBL11589556 0.87 TDP1 (0.46) CES2CES1ALDH1A1HPGDHSD11B1
SCHEMBL29155491 0.87 CES2 (0.43) CES2CES1ALDH1A1HPGDHSD11B1
SCHEMBL1574223 0.85 CES1 (0.55) CES2CES1ALDH1A1HPGDHSD11B1
SCHEMBL29045863 0.84 CES2 (0.48) CES2CES1ALDH1A1HPGDHSD11B1
SCHEMBL17712467 0.82 CES2 (0.39) CES2CES1ALDH1A1HPGDHSD11B1
SCHEMBL29156746 0.82 AKT1 (0.47) CES2CES1ALDH1A1HPGDHSD11B1
SCHEMBL6551367 0.82 CES2 (0.46) CES2CES1ALDH1A1HPGDHSD11B1
SCHEMBL6280366 0.80 CES1 (0.50) CES2CES1ALDH1A1HPGDHSD11B1
SCHEMBL18919366 0.80 AKR1C3 (0.57) ALDH1A1HPGDTSHRHSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0142241-A1 Dihydroxybenzamide derivatives having anti-inflammatory activity KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1985-05-22 EP claimed
US-5140020-A Antiinflammatory agents KUREHA KAGATU KOGYO KABUSHIKI KAISHA (JP) 1992-08-18 US disclosed
US-4725598-A Derivative of dihydroxybenzamide and a pharmaceutical composition having an anti-inflammatory activity KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-02-16 US disclosed
EP-0142241-B1 DIHYDROXYBENZAMIDE DERIVATIVES HAVING ANTI-INFLAMMATORY ACTIVITY KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1987-12-02 EP disclosed
EP-0142241-A1 Dihydroxybenzamide derivatives having anti-inflammatory activity KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1985-05-22 EP disclosed