SCHEMBL8323364

SCHEMBL8323364

O=C(Nc1ccccc1-c1ccccc1)OCCCC(O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 10/20 0.50
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 2/20 0.49
KCNQ2 O43526 1/20 0.49
MAPT P10636 1/20 0.49
ALDH1A1 P00352 1/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47

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
SCHEMBL6609768 0.81 CYP1A2 (0.63) CHRM3CHRM2CHRM1ALDH1A1SMN1; SMN2
SCHEMBL8323008 0.81 ALDH1A1 (0.58) L3MBTL1LMNAMAPTALDH1A1NPC1
SCHEMBL8327647 0.81 NPC1 (0.61) L3MBTL1LMNAALDH1A1NPC1RAB9A
SCHEMBL17856291 0.78 CHRM3 (0.59) CHRM3CHRM2CHRM1HTTL3MBTL1
SCHEMBL8325863 0.78 CHRM3 (0.51) CHRM3CHRM2CHRM1L3MBTL1LMNA
SCHEMBL17847478 0.77 CHRM3 (0.53) CHRM3CHRM2CHRM1ALDH1A1
SCHEMBL5475717 0.75 PTPN1 (0.62) CHRM3CHRM2CHRM1L3MBTL1KCNQ2
SCHEMBL17847445 0.74 CHRM3 (0.55) CHRM3CHRM2CHRM1ALDH1A1
SCHEMBL19713007 0.74 CHRM3 (0.52) CHRM3CHRM2CHRM1ALDH1A1
SCHEMBL8319913 0.73 LMNA (0.54) HTTL3MBTL1LMNAMAPTALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5977170-A HIGH DENISTY LIPOPROTEINS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-02 US disclosed
WO-1998057927-A1 ELEVATION OF HDL CHOLESTEROL BY 4-[(AMINOTHIOXOMETHYL)HYDRAZONO]-4-ARYLBUTYL CARBAMATES AMERICAN HOME PRODUCTS CORPORATION (US) 1998-12-23 WO disclosed