SCHEMBL8844997

SCHEMBL8844997

CN1CCN(C(=O)Oc2ccc(Oc3ccccc3)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.67
RAB9A P51151 2/20 0.67
POLB P06746 2/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
GAA P10253 1/20 0.59
MGLL Q99685 2/20 0.56
HSD17B10 Q99714 1/20 0.56
MAPT P10636 1/20 0.56
TSHR P16473 1/20 0.56
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
FAAH O00519 1/20 0.54
ADORA2A P29274 1/20 0.54
ADORA1 P30542 1/20 0.54
ALOX15 P16050 1/20 0.54
ALDH1A1 P00352 1/20 0.53
KDM4E B2RXH2 1/20 0.52

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
SCHEMBL5104855 0.94 GAA (0.66) NPC1RAB9APOLBGAAMGLL
SCHEMBL8845129 0.85 KMT2A (0.73) NPC1RAB9APOLBGAAMGLL
SCHEMBL11882343 0.85 MGLL (0.72) NPC1RAB9APOLBGAAMGLL
SCHEMBL8845496 0.84 ALDH1A1 (0.77) NPC1RAB9APOLBL3MBTL1GAA
SCHEMBL5653225 0.84 ALDH1A1 (0.77) NPC1RAB9APOLBL3MBTL1GAA
SCHEMBL2293191 0.84 KMT2A (0.51) NPC1RAB9APOLBGAAMGLL
SCHEMBL2293194 0.84 KMT2A (0.51) NPC1RAB9APOLBGAAMGLL
SCHEMBL8844981 0.83 ALOX15 (0.72) NPC1RAB9AGAAMGLLHSD17B10
SCHEMBL10053020 0.82 MAPT (0.60) NPC1RAB9APOLBL3MBTL1MAPT
SCHEMBL15134826 0.82 CYP1A2 (0.69) NPC1RAB9APOLBGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0428385-A1 Cholesterol ester hydrolase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1991-05-22 EP claimed
US-5602151-A ADMINISTERING TO MAMMALS TO REDUCE SERUM CHOLESTEROL LEVELS AMERICAN HOME PRODUCTS CORPORATION (US) 1997-02-11 US disclosed
US-5512565-A REDUCE CHOLESTEROL ABSORPTION IN MAMMALS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-04-30 US disclosed
US-5391571-A Cholesterol ester hydrolase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1995-02-21 US disclosed
EP-0428385-A1 Cholesterol ester hydrolase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1991-05-22 EP disclosed