SCHEMBL6937034

SCHEMBL6937034

C=Cc1ccc(/C=N\O)c(O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.42
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
ALPL P05186 2/20 0.39
POLB P06746 2/20 0.39
ALPI P09923 2/20 0.39
ALPG P10696 2/20 0.39
BLM P54132 1/20 0.39
GFER P55789 1/20 0.39
ALDH1A1 P00352 4/20 0.37
ESR2 Q92731 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
FGF23 Q9GZV9 1/20 0.35
EIF4H Q15056 1/20 0.35
LCK P06239 1/20 0.34
SRC P12931 1/20 0.34
HPGD P15428 2/20 0.34

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
SCHEMBL1720735 1.00 TRPA1 (0.42) TRPA1MAPTSMN1; SMN2L3MBTL1ALPL
SCHEMBL1720733 1.00 TRPA1 (0.42) TRPA1MAPTSMN1; SMN2L3MBTL1ALPL
SCHEMBL1901118 0.85 MAPT (0.51) TRPA1MAPTSMN1; SMN2L3MBTL1ALPL
SCHEMBL12061658 0.85 MAPT (0.51) TRPA1MAPTSMN1; SMN2L3MBTL1ALPL
SCHEMBL1900047 0.85 MAPT (0.51) TRPA1MAPTSMN1; SMN2L3MBTL1ALPL
SCHEMBL2828623 0.81 TRPA1 (0.48) TRPA1MAPTSMN1; SMN2L3MBTL1ALPL
Ammonia Solution, Strong SCHEMBL5087830 0.79 TRPA1 (0.47) TRPA1MAPTSMN1; SMN2L3MBTL1ALPL
SCHEMBL23209631 0.76 TYR (0.48) TRPA1ALDH1A1KDM4E
SCHEMBL5162147 0.75 MEN1 (0.56) MAPTL3MBTL1ALPLPOLBALPI
SCHEMBL1156333 0.75 MEN1 (0.56) MAPTL3MBTL1ALPLPOLBALPI

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
US-20030003587-A1 Molecularly imprinted polymer based sensors for the detection of narcotics JOHNS HOPKINS UNIVERSITY, THE 2003-01-02 US disclosed
WO-2001077672-A2 MOLECULARLY IMPRINTED POLYMER BASED SENSORS FOR THE DETECTION OF NARCOTICS THE JOHNS HOPKINS UNIVERSITY (US) 2001-10-18 WO disclosed