SCHEMBL18098741

SCHEMBL18098741

CCC(=O)CC(C)(C)N(C)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.50
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
LMNA P02545 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 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
SCHEMBL9304780 0.80 ALDH1A1 (0.47) RIPK1NPC1RAB9ALMNAKMT2A
SCHEMBL19954207 0.77 TSHR (0.52) RIPK1NPC1RAB9ACA12CA9
SCHEMBL9303465 0.73 TSHR (0.47) RIPK1NPC1RAB9ACA12CA9
SCHEMBL8919406 0.73 RAB9A (0.50) RIPK1NPC1RAB9ACA12CA9
SCHEMBL27138796 0.72 RIPK1 (0.47) RIPK1NPC1RAB9ACA12CA9
SCHEMBL11249019 0.71 TSHR (0.54) RIPK1NPC1RAB9ACA12CA9
SCHEMBL1640061 0.70 TSHR (0.58) RIPK1NPC1RAB9ACA12CA9
Hydrochloric Acid SCHEMBL6529184 0.70 RIPK1 (0.49) RIPK1NPC1RAB9ACA12CA9
SCHEMBL14156784 0.70 KMT2A (0.54) RIPK1NPC1RAB9ACA12CA9
SCHEMBL5476106 0.70 CARM1 (0.53) NPC1RAB9ACA12CA9KMT2A

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
EP-3072885-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2016-09-28 EP disclosed