SCHEMBL29013248

SCHEMBL29013248

CN(C(=O)C=CC1(O)CCCCC1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
MITF O75030 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL5175667 0.76 LMNA (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL5175660 0.76 LMNA (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL4022487 0.72 LMNA (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL5175922 0.72 LMNA (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL5175912 0.72 LMNA (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL5175903 0.71 LMNA (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL5175916 0.71 LMNA (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL5176493 0.71 LMNA (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL2913174 0.70 RIPK1 (0.44) PKMALDH1A1KMT2APOLBMEN1
SCHEMBL20976894 0.69 LMNA (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA

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
CN-115850120-A Preparation method of alcohol alpha-carbon hydrogen bond alkylated compound 浙江工业大学 2023-03-28 CN disclosed