SCHEMBL8209462

SCHEMBL8209462

C/C=C(/C(=O)O)c1ccccc1/C(=N\OC(C)c1ccccc1)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 2/20 0.37
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
LMNA P02545 2/20 0.34
MDM4 O15151 1/20 0.34
MAPT P10636 1/20 0.34
MDM2 Q00987 1/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 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
SCHEMBL8213958 0.77 MMP8 (0.40) MMP8MEN1KMT2ATSHRALDH1A1
SCHEMBL8200860 0.77 HCAR2 (0.33) MMP8TSHRALDH1A1HCAR2LMNA
SCHEMBL8200865 0.77 HCAR2 (0.33) MMP8TSHRALDH1A1HCAR2LMNA
SCHEMBL8200862 0.69 HCAR2 (0.33) HCAR2LTB4RLTB4R2
SCHEMBL10539056 0.67 MMP8 (0.41) MMP8MEN1KMT2ATSHRALDH1A1
SCHEMBL10538461 0.65 HCAR2 (0.41) KMT2AALDH1A1HCAR2CYP3A4LTB4R
SCHEMBL10538467 0.65 HCAR2 (0.41) KMT2AALDH1A1HCAR2CYP3A4LTB4R
SCHEMBL5172986 0.64 ALDH1A1 (0.61) KMT2ATSHRALDH1A1HSD17B10LMNA
SCHEMBL1837098 0.64 HCAR2 (0.51) MMP8MEN1KMT2ATSHRNPC1
SCHEMBL16673423 0.63 MMP8 (0.51) MMP8MEN1KMT2ATSHRNPC1

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
EP-1021399-A2 FUNGICIDES WITH HYDROXIMIC AND HYDRAZONIC GROUPS AVENTIS CROPSCIENCE S.A. (FR) 2000-07-26 EP disclosed
WO-1998015512-A2 FUNGICIDES WITH HYDROXIMIC AND HYDRAZONIC GROUPS RHONE POULENC AGROCHIMIE (FR) 1998-04-16 WO disclosed