SCHEMBL24095909

SCHEMBL24095909

CCCCCCOC(=O)NCC(O)CCCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.65
RAB9A P51151 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
LMNA P02545 1/20 0.62
CTSK P43235 2/20 0.54
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA4 P43681 1/20 0.49
RECQL P46063 1/20 0.47
NAAA Q02083 5/20 0.46

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
SCHEMBL4542544 0.83 SMN1; SMN2 (0.54) NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL26296600 0.81 ASAH1 (0.62) LMNA
SCHEMBL14996273 0.81 CTSL (0.57) NPC1RAB9ASMN1; SMN2LMNACTSK
SCHEMBL15109512 0.81 CTSL (0.57) NPC1RAB9ASMN1; SMN2LMNACTSK
SCHEMBL16790930 0.81 NPC1 (0.60) NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL24095976 0.81 HPGD (0.54) NAAA
SCHEMBL18286924 0.80 CTSK (0.51) NPC1RAB9ASMN1; SMN2LMNACTSK
SCHEMBL24095742 0.78 NPC1 (0.54) NPC1RAB9ASMN1; SMN2LMNACTSK
SCHEMBL28969065 0.78 NPC1 (0.63) NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL28969034 0.78 NPC1 (0.63) NPC1RAB9ASMN1; SMN2LMNA

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-2021252640-A1 ASPARAGINE DERIVATIVES AND METHODS OF USING SAME SENDA BIOSCIENCES, INC. (US) 2021-12-16 WO disclosed