SCHEMBL7747866

SCHEMBL7747866

CON(C(=O)O)c1ccccc1/C(=N\OCc1c(C)noc1C)OCC1CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
TSHR P16473 5/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
NPSR1 Q6W5P4 4/20 0.39
HTT P42858 2/20 0.39
CRHBP P24387 1/20 0.39
RAB9A P51151 1/20 0.39
CRHR2 Q13324 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
AKR1C3 P42330 4/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.39

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
SCHEMBL7753153 0.82 ALDH1A1 (0.44) ALDH1A1TSHRL3MBTL1KMT2AMAPT
SCHEMBL7752172 0.82 ALDH1A1 (0.44) ALDH1A1TSHRL3MBTL1KMT2AMAPT
SCHEMBL7751848 0.81 ALDH1A1 (0.43) ALDH1A1TSHRL3MBTL1KMT2AMAPT
SCHEMBL7747848 0.81 ALDH1A1 (0.41) ALDH1A1TSHRL3MBTL1KMT2AMAPT
SCHEMBL7751858 0.79 KMT2A (0.40) ALDH1A1TSHRL3MBTL1KMT2AMAPT
SCHEMBL7751905 0.65 ALDH1A1 (0.42) ALDH1A1TSHRL3MBTL1KMT2AMAPT
SCHEMBL7747858 0.62 PTGIR (0.36) ALDH1A1KMT2ALMNASMN1; SMN2POLB
SCHEMBL28582347 0.61 AKR1C3 (0.71) ALDH1A1TSHRKMT2AAKR1C3
SCHEMBL28582938 0.60 AKR1C3 (0.74) ALDH1A1TSHRKMT2AHTTAKR1C3
SCHEMBL7308739 0.58 ALDH1A1 (0.61) ALDH1A1TSHRL3MBTL1KMT2AMAPT

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-1070052-A1 FUNGICIDE COMPOSITIONS COMPRISING A HYDROXIMIC OR HYDRAZONIC GROUP AVENTIS CROPSCIENCE S.A. (FR) 2001-01-24 EP disclosed
WO-1999051579-A1 FUNGICIDE COMPOSITIONS COMPRISING A HYDROXIMIC OR HYDRAZONIC GROUP AVENTIS CROPSCIENCE S.A. (FR) 1999-10-14 WO disclosed