SCHEMBL8888323

SCHEMBL8888323

CCO/C=C(/C(C)=O)C(=O)c1ccc(C(C)(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPD P32754 2/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ MAPT P10636 5/20 0.38
▸ GLO1 Q04760 1/20 0.38
▸ LMNA P02545 5/20 0.36
▸ HPGD P15428 3/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.34
▸ ATM Q13315 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL8488098 1.00 HPD (0.41) HPDALDH1A1NPC1MAPK1RAB9A
SCHEMBL8488709 0.90 HPD (0.53) HPDALDH1A1MAPK1MAPTLMNA
SCHEMBL8488712 0.90 HPD (0.53) HPDALDH1A1MAPK1MAPTLMNA
SCHEMBL8493337 0.88 HPD (0.43) HPDALDH1A1MAPTGLO1LMNA
SCHEMBL8493334 0.88 HPD (0.43) HPDALDH1A1MAPTGLO1LMNA
SCHEMBL8886156 0.86 HPD (0.38) HPDALDH1A1NPC1MAPK1RAB9A
SCHEMBL8491093 0.86 HPD (0.38) HPDALDH1A1NPC1MAPK1RAB9A
SCHEMBL8494901 0.85 MAPT (0.47) ALDH1A1NPC1MAPK1RAB9AMAPT
SCHEMBL8489316 0.85 CES2 (0.49) ALDH1A1MAPK1MAPTGLO1LMNA
SCHEMBL8494904 0.85 MAPT (0.47) ALDH1A1NPC1MAPK1RAB9AMAPT

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
US-5656573-A Herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-12 — — US disclosed
US-5650533-A Intermediates to herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-07-22 — — US disclosed
EP-0418175-B1 Isoxazoles herbicides RHONE POULENC AGRICULTURE (GB) 1996-07-17 — — EP disclosed
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