SCHEMBL22135161

SCHEMBL22135161

CC(C)CCCNC(=O)N(C)CC1COCCO1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
LMNA P02545 2/20 0.33
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM3 P20309 1/20 0.31
PSEN1 P49768 2/20 0.31
PSEN2 P49810 2/20 0.31
APH1B Q8WW43 2/20 0.31
NCSTN Q92542 2/20 0.31
APH1A Q96BI3 2/20 0.31
PSENEN Q9NZ42 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
CHRNB2 P17787 1/20 0.31

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
SCHEMBL22135150 0.84 LMNA (0.47) ALDH1A1NPC1LMNASMN1; SMN2KDM4E
SCHEMBL22135151 0.78 KDM4E (0.40) ALDH1A1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL16750116 0.74 CHRM2 (0.39) ALDH1A1L3MBTL1NPC1RAB9ALMNA
SCHEMBL22135155 0.73 PIK3CD (0.41) NPC1RAB9ALMNASMN1; SMN2GAA
SCHEMBL8226259 0.72 CHRM2 (0.42) ALDH1A1L3MBTL1NPC1RAB9ALMNA
SCHEMBL3950824 0.72 CHRM2 (0.42) ALDH1A1L3MBTL1NPC1RAB9ALMNA
SCHEMBL3949962 0.72 CHRM2 (0.42) ALDH1A1L3MBTL1NPC1RAB9ALMNA
SCHEMBL3949126 0.72 CHRM2 (0.42) ALDH1A1L3MBTL1NPC1RAB9ALMNA
SCHEMBL18233567 0.69 ALDH1A1 (0.41) ALDH1A1L3MBTL1NPC1RAB9ALMNA
SCHEMBL24845989 0.69 CHRM2 (0.34) ALDH1A1L3MBTL1CHRM2CHRM4CHRM5

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-2020132566-A1 STING PYRAZOLE AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 WO disclosed