SCHEMBL7684124

SCHEMBL7684124

CC(C)(C(=O)O)C(=O)Oc1ccc([N+](=O)[O-])c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.46
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
MAPK1 P28482 2/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
RAF1 P04049 1/20 0.41
GFER P55789 1/20 0.41
PAX8 Q06710 1/20 0.41
NR1H4 Q96RI1 2/20 0.41
TDP1 Q9NUW8 2/20 0.40

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
SCHEMBL1857266 0.80 MAPK1 (0.51) LMNAMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL7684234 0.78 MAPK1 (0.44) LMNAMAPTHTTMAPK1TSHR
SCHEMBL28120167 0.78 MAPK1 (0.53) LMNAMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL27538288 0.76 MAPK1 (0.47) LMNAMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL11648784 0.76 MAPK1 (0.47) LMNAMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL7677021 0.76 LMNA (0.48) LMNAMAPTHTTMAPK1TSHR
SCHEMBL8583134 0.75 MAPT (0.48) MAPTNPSR1MAPK1ALDH1A1HPGD
SCHEMBL28941179 0.74 LMNA (0.47) LMNAMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL28655012 0.73 MAPK1 (0.47) LMNAMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL1629413 0.73 MAPK1 (0.58) LMNAMAPTCYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6469181-B1 PREPARING 2-OXINDOLES AND N-HYROXY-2- OXINDOLES VIA REDUCTION OF 2-NITROARYLMALONATE DIESTERS WITHOUT ISOLATION OF INTERMEDIATES CATALYTICA, INC. 2002-10-22 US disclosed
EP-0809631-A4 PROCESS FOR PREPARING 2-OXINDOLES AND N-HYDROXY-2-OXINDOLES CATALYTICA INC (US) 1998-07-08 EP disclosed
EP-0809631-A1 PROCESS FOR PREPARING 2-OXINDOLES AND N-HYDROXY-2-OXINDOLES CATALYTICA, INC. (US) 1997-12-03 EP disclosed
WO-1996023770-A1 PROCESS FOR PREPARING 2-OXINDOLES AND N-HYDROXY-2-OXINDOLES CATALYTICA, INC. (US) 1996-08-08 WO disclosed