SCHEMBL9750650

SCHEMBL9750650

CCOC(=O)c1nc(NC(C)(C)C)oc1-c1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.48
GABRA2 P47869 2/20 0.47
GABRB2 P47870 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
TARBP2 Q15633 2/20 0.43
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
ALDH1A1 P00352 2/20 0.41
ALOX12 P18054 1/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ELANE P08246 1/20 0.41
POLB P06746 1/20 0.40
TP53 P04637 1/20 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
SCHEMBL4786522 0.83 ALOX5 (0.55) ALOX5GABRA2GABRB2L3MBTL1TRPM8
SCHEMBL9587212 0.74 ALOX5 (0.52) ALOX5GABRA2GABRB2L3MBTL1TRPM8
SCHEMBL1545025 0.74 L3MBTL1 (0.53) ALOX5GABRA2GABRB2L3MBTL1TRPM8
SCHEMBL18004078 0.72 TARBP2 (0.62) ALOX5GABRA2GABRB2L3MBTL1TRPM8
SCHEMBL18003298 0.72 TARBP2 (0.50) ALOX5GABRA2GABRB2L3MBTL1TRPM8
SCHEMBL9750620 0.71 ALPL (0.44) ALDH1A1MAPTKDM4EPOLB
SCHEMBL4738316 0.71 TARBP2 (0.48) L3MBTL1TARBP2JAK2JAK3ALDH1A1
SCHEMBL421473 0.70 ALOX5 (0.56) ALOX5GABRA2GABRB2L3MBTL1TRPM8
SCHEMBL5775490 0.69 ALOX5 (0.52) ALOX5GABRA2GABRB2L3MBTL1TRPM8
SCHEMBL421079 0.69 ALOX5 (0.55) ALOX5GABRA2GABRB2L3MBTL1TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5000775-A 2-amino-4,5-disubstituted-oxazole/thiazole compounds as herbicide antidotes MONSANTO COMPANY (US) 1991-03-19 US disclosed