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SCHEMBL9738882

SCHEMBL9738882

CC(C)(C)C(=O)OC1=C(C(=O)c2ccc(OS(C)(=O)=O)cc2[N+](=O)[O-])C(=O)C(C)(C)OC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 6/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MAPT P10636 1/20 0.30

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
SCHEMBL9739629 0.90 ALDH1A1 (0.35) ALDH1A1MEN1MAPK1KMT2AMAPT
SCHEMBL9738873 0.88 ALDH1A1 (0.39) ALDH1A1MEN1MAPK1KMT2AMAPT
SCHEMBL9738311 0.87 KMT2A (0.32) ALDH1A1MEN1MAPK1KMT2AMAPT
SCHEMBL10591266 0.87 MEN1 (0.32) ALDH1A1MEN1MAPK1KMT2A
SCHEMBL9739103 0.86 CA12 (0.38) ALDH1A1MEN1MAPK1KMT2AMAPT
SCHEMBL9872626 0.74 SMN1; SMN2 (0.39) ALDH1A1MAPT
SCHEMBL9739114 0.72 HPD (0.38) ALDH1A1MEN1MAPK1KMT2AMAPT
SCHEMBL9874689 0.72 SMN1; SMN2 (0.41) ALDH1A1MEN1MAPK1KMT2AMAPT
SCHEMBL9740555 0.69 AKR1C3 (0.45) ALDH1A1MAPK1MAPT
SCHEMBL9738636 0.68 FLT1 (0.39) ALDH1A1MEN1MAPK1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5089046-A Herbicides or miticide SANDOZ LTD. (CH) 1992-02-18 — — US disclosed
EP-0336898-A2 Substituted aryl or heteroaryl diones SANDOZ AG (CH) 1989-10-11 — — EP disclosed