SCHEMBL4619396

SCHEMBL4619396

CC(=O)O[C@H]1CC[C@H](c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.46
POLB P06746 3/20 0.45
MAPK1 P28482 1/20 0.44
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
DGAT1 O75907 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
FAAH O00519 1/20 0.41
NAMPT P43490 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
NOTCH1 P46531 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40

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
SCHEMBL4619399 1.00 SLC18A3 (0.46) SLC18A3POLBMAPK1PTPN2PTPN1
SCHEMBL27731989 0.85 DGAT1 (0.47) SLC18A3POLBPTPN2PTPN1MAPT
SCHEMBL1066991 0.80 SLC18A3 (0.57) SLC18A3POLBMAPTALDH1A1NAMPT
SCHEMBL15911925 0.80 SLC18A3 (0.57) SLC18A3POLBMAPTALDH1A1NAMPT
SCHEMBL4558845 0.80 ESR2 (0.55) CYP2C9
SCHEMBL5246202 0.80 ESR2 (0.55) CYP2C9
SCHEMBL9474246 0.78 SLC18A3 (0.40) SLC18A3PTPN2PTPN1CYP2C9NPC1
SCHEMBL27598297 0.78 CYP2C9 (0.41) SLC18A3MAPTALDH1A1SMN1; SMN2CYP2C9
SCHEMBL5438599 0.78 ALDH1A1 (0.45) SLC18A3MAPTALDH1A1CYP2C9NPC1
SCHEMBL28002067 0.78 HSD17B1 (0.45) SLC18A3MAPTSMN1; SMN2CYP2C9

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
EP-1893592-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS AstraZeneca AB (SE) 2008-03-05 EP disclosed
WO-2006134317-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2006-12-21 WO disclosed