SCHEMBL8845129

SCHEMBL8845129

O=C(Oc1ccc(Oc2ccccc2)cc1)N1CCCC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.73
MEN1 O00255 5/20 0.73
SMN1; SMN2 Q16637 5/20 0.73
LMNA P02545 1/20 0.73
NPSR1 Q6W5P4 1/20 0.73
ALDH1A1 P00352 2/20 0.73
POLB P06746 1/20 0.73
NPC1 O15118 4/20 0.72
RAB9A P51151 3/20 0.72
HSD17B10 Q99714 1/20 0.60
GAA P10253 1/20 0.59
MAPT P10636 2/20 0.58
HTT P42858 2/20 0.58
MGLL Q99685 2/20 0.56
KDM4E B2RXH2 1/20 0.56
FAAH O00519 1/20 0.54
TP53 P04637 1/20 0.54
CYP3A4 P08684 1/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54

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
SCHEMBL8845496 0.98 ALDH1A1 (0.77) KMT2AMEN1SMN1; SMN2LMNANPSR1
SCHEMBL5653225 0.98 ALDH1A1 (0.77) KMT2AMEN1SMN1; SMN2LMNANPSR1
SCHEMBL1578826 0.93 ALDH1A1 (0.78) KMT2AMEN1SMN1; SMN2LMNANPSR1
SCHEMBL11480252 0.91 ALDH1A1 (0.81) KMT2AMEN1SMN1; SMN2LMNANPSR1
SCHEMBL6882525 0.91 ALDH1A1 (0.81) KMT2AMEN1SMN1; SMN2LMNANPSR1
SCHEMBL3077817 0.89 SMN1; SMN2 (0.72) KMT2AMEN1SMN1; SMN2LMNANPSR1
SCHEMBL8844997 0.85 NPC1 (0.67) KMT2AMEN1SMN1; SMN2LMNANPSR1
SCHEMBL8844777 0.85 NPC1 (0.67) KMT2AMEN1SMN1; SMN2LMNANPSR1
SCHEMBL5649217 0.85 HSD17B10 (0.81) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL11882343 0.85 MGLL (0.72) KMT2AMEN1SMN1; SMN2LMNANPSR1

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