SCHEMBL7473555

SCHEMBL7473555

CCOC(=O)c1ccc(SCc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 5/20 0.61
GSTM2 P28161 5/20 0.61
POLB P06746 3/20 0.58
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
HPGD P15428 1/20 0.54
CYP2C19 P33261 1/20 0.54
MAPT P10636 5/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 5/20 0.52
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
PKM P14618 1/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
LMNA P02545 2/20 0.51
KDM4E B2RXH2 1/20 0.51
PTGER4 P35408 1/20 0.49
APEX1 P27695 1/20 0.49

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
SCHEMBL11973051 0.88 POLB (0.72) GSTP1GSTM2POLBCYP1A2CYP3A4
SCHEMBL2960962 0.83 MAPT (0.69) GSTP1GSTM2POLBMAPTHTT
SCHEMBL260444 0.82 KMT2A (0.62) GSTP1GSTM2POLBHPGDMAPT
SCHEMBL5913906 0.82 ALDH1A1 (0.60) POLBHPGDMAPTKMT2AALDH1A1
SCHEMBL30902227 0.81 SMN1; SMN2 (0.49) GSTP1GSTM2MAPTHTTKMT2A
SCHEMBL7473558 0.80 KMT2A (0.56) POLBMAPTKMT2AALDH1A1RAB9A
SCHEMBL2925221 0.80 GSTP1 (0.53) GSTP1GSTM2POLBCYP1A2CYP3A4
SCHEMBL4004627 0.79 KMT2A (0.58) GSTP1GSTM2POLBHPGDMAPT
SCHEMBL4671094 0.79 ALDH1A1 (0.54) GSTP1GSTM2POLBMAPTHTT
SCHEMBL5299658 0.78 ABCB1 (0.55) POLBMAPTKMT2AALDH1A1RAB9A

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
EP-0636622-B1 Isoxazole derivatives and their use as herbicides AVENTIS AGRICULTURE LTD (GB) 2002-10-23 EP disclosed
EP-1160244-A1 Isoxazole derivatives and their use as herbicides RHONE-POULENC AGRICULTURE LIMITED (GB) 2001-12-05 EP disclosed
US-5489570-A PRE- OR POST-EMERGENCE RHONE-POULENC AGRICULTURE LIMITED (GB) 1996-02-06 US disclosed
EP-0636622-A1 Isoxazole derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1995-02-01 EP disclosed