SCHEMBL9402902

SCHEMBL9402902

CC(C)(C)C(=O)c1ccc(Cc2cc(C(=O)C(C)(C)C)ccc2C(=O)NOCC(O)CO)cc1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.39
MAP2K2 P36507 3/20 0.39
MAPK1 P28482 2/20 0.39
BRAF P15056 1/20 0.39
MAP2K5 Q13163 1/20 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
SCHEMBL9402803 0.81 RAB9A (0.40) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL9402780 0.75 ALDH1A1 (0.41)
SCHEMBL9402931 0.71 RAB9A (0.48)
SCHEMBL9402628 0.70 ELANE (0.36)
SCHEMBL9359357 0.69 MAP2K1 (0.38) MAP2K1MAP2K2MAP2K5
SCHEMBL23682944 0.69 LMNA (0.44) MAPK1
SCHEMBL9402813 0.68 ELANE (0.33)
SCHEMBL9402901 0.68 ELANE (0.36) MAPK1
SCHEMBL9402914 0.67 RAB9A (0.50)
SCHEMBL9402922 0.66 RAB9A (0.69) MAPK1

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-5319123-A Reacting an N-alkoxyamide with an acyl halide in the presence of a hindered base SANDOZ LTD. (CH) 1994-06-07 US disclosed