SCHEMBL21783573

SCHEMBL21783573

CC(C)(C)CC(=O)NOCC[C@@H](O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.50
RAB9A P51151 3/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
BCAT2 O15382 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 3/20 0.39
NPC1 O15118 2/20 0.39
AOC3 Q16853 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL22456387 0.81 RIPK1 (0.50) RIPK1RAB9AMAPTBCAT2SMN1; SMN2
SCHEMBL18921533 0.81 RIPK1 (0.50) RIPK1RAB9AMAPTBCAT2SMN1; SMN2
SCHEMBL22232743 0.81 RIPK1 (0.50) RIPK1RAB9AMAPTBCAT2SMN1; SMN2
SCHEMBL20580231 0.81 BCAT2 (0.49) RIPK1RAB9ABCAT2SMN1; SMN2LMNA
SCHEMBL20580230 0.81 BCAT2 (0.49) RIPK1RAB9ABCAT2SMN1; SMN2LMNA
SCHEMBL22232741 0.71 RIPK1 (0.49) RIPK1RAB9ABCAT2SMN1; SMN2LMNA
SCHEMBL28673428 0.71 POLB (0.50) RIPK1RAB9AMAPTBCAT2SMN1; SMN2
SCHEMBL22232745 0.71 RIPK1 (0.49) RIPK1RAB9ABCAT2SMN1; SMN2LMNA
SCHEMBL13021174 0.71 MEN1 (0.68) GAAMAPTHPGDHTTNPC1
Hydrochloric Acid SCHEMBL27556014 0.70 MEN1 (0.66) GAAMAPTHPGDHTTNPC1

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
WO-2020043173-A1 HETEROCYCLIC COMPOUND AS RECEPTOR INTERACTING PROTEIN 1(RIP1) KINASE INHIBITOR 宁波文达医药科技有限公司 2020-03-05 WO disclosed