SCHEMBL9402803

SCHEMBL9402803

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
MAP2K1 Q02750 8/20 0.40
NAMPT P43490 1/20 0.39
KMT2A Q03164 1/20 0.38
MLYCD O95822 1/20 0.38
MAP2K2 P36507 2/20 0.38
BRAF P15056 1/20 0.38
MAPK1 P28482 1/20 0.38
MAP2K5 Q13163 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
AR P10275 3/20 0.37
VDR P11473 1/20 0.37

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
SCHEMBL9402902 0.81 MAP2K1 (0.39) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL9359367 0.79 KMT2A (0.49) RAB9ANPC1KMT2AMLYCD
SCHEMBL9402787 0.77 MLYCD (0.38) RAB9ANPC1NAMPTKMT2AMLYCD
SCHEMBL9402922 0.76 RAB9A (0.69) RAB9ANPC1KMT2AMAPK1
SCHEMBL9402878 0.76 KMT2A (0.49) RAB9ANPC1KMT2AMLYCD
SCHEMBL9402706 0.74 ALDH1A1 (0.44) RAB9ANPC1KMT2AMLYCDADRB2
SCHEMBL25137571 0.73 MLYCD (0.43) RAB9ANPC1KMT2AMLYCDAR
SCHEMBL9184350 0.73 MAPT (0.44) RAB9ANPC1MLYCDAR
SCHEMBL9402767 0.72 RAB9A (0.41) RAB9ANPC1KMT2AMLYCD
SCHEMBL9402593 0.72 RAB9A (0.71) RAB9ANPC1

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