SCHEMBL9404576

SCHEMBL9404576

CCCCc1cc(C2=C(Cl)CC3CCC2(OC(=O)C(=O)OC24CCC(CC(Cl)=C2c2cc(CCCC)on2)N4)N3)no1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.34
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
S1PR1 P21453 2/20 0.31
S1PR3 Q99500 2/20 0.31
ALDH1A1 P00352 2/20 0.31
TSHR P16473 2/20 0.31
XBP1 P17861 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAPK1 P28482 1/20 0.31
STAT3 P40763 1/20 0.31
ATM Q13315 1/20 0.31
HSD17B10 Q99714 1/20 0.31
IGF1R P08069 1/20 0.30

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
Oxalic Acid SCHEMBL9404570 0.73 PPARA (0.38) PPARACHRNB2CHRNA4NPC1RAB9A
SCHEMBL9451949 0.71 CHRNA1 (0.34) PPARANPC1RAB9ASMN1; SMN2
SCHEMBL9404305 0.65 PPARA (0.34) PPARANPC1RAB9ASMN1; SMN2S1PR1
Oxalic Acid SCHEMBL9404355 0.63 PPARA (0.41) PPARACHRNB2CHRNA4NPC1RAB9A
SCHEMBL9404358 0.63 PPARA (0.37) PPARARAB9ASMN1; SMN2ALDH1A1TSHR
Oxalic Acid SCHEMBL9404438 0.61 SLC6A3 (0.33) CHRNB2CHRNA4NPC1RAB9ASMN1; SMN2
SCHEMBL9404353 0.59 TP53 (0.40) PPARANPSR1
SCHEMBL9404370 0.58 CHRM2 (0.41) PPARARAB9A
SCHEMBL4030288 0.58 SMN1; SMN2 (0.50) PPARANPC1RAB9ASMN1; SMN2S1PR1
SCHEMBL11721077 0.58 PPARA (0.54) PPARANPC1RAB9ASMN1; SMN2S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5356912-A 3-(5-isoxazolyl)-1-methyl-1,2,3,6-tetrahydropyridine useful for treating Alzheimer's disease NOVO NORDISK A/S (DK) 1994-10-18 US disclosed
US-5262427-A Cognition activators for Alzheimer*s disease NOVO NORDISK A/S (DK) 1993-11-16 US disclosed
EP-0316718-B1 AZACYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1993-09-15 EP disclosed
EP-0316718-A2 Azacyclic compounds and their preparation and use NOVO NORDISK A/S (DK) 1989-05-24 EP disclosed