SCHEMBL8044730

SCHEMBL8044730

O=C(Cc1ccc(O)c(F)c1)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 2/20 0.48
GAA P10253 2/20 0.48
MAPT P10636 2/20 0.48
ALOX12 P18054 1/20 0.48
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 2/20 0.45
GSK3B P49841 2/20 0.44
PIK3CA P42336 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42

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
SCHEMBL6511772 0.80 HDAC3 (0.41) LMNANPC1RAB9AGAAMAPT
SCHEMBL29985867 0.79 GSK3B (0.61) LMNANPC1RAB9AGAAMAPT
SCHEMBL8584136 0.79 GSK3B (0.61) LMNANPC1RAB9AGAAMAPT
SCHEMBL6514098 0.79 KCNH2 (0.41) LMNANPC1RAB9AGAAMAPT
SCHEMBL6199282 0.78 PTPN1 (0.55) LMNANPC1RAB9AGAAMAPT
SCHEMBL6203410 0.78 PTPN1 (0.55) LMNANPC1RAB9AGAAMAPT
SCHEMBL4291295 0.78 LMNA (0.54) LMNANPC1RAB9AMAPTKDM4E
SCHEMBL7854876 0.76 NPC1 (0.68) LMNANPC1RAB9AGAAMAPT
SCHEMBL8044783 0.76 NPC1 (0.68) LMNANPC1RAB9AGAAMAPT
SCHEMBL27640786 0.76 KDM4E (0.58) LMNANPC1RAB9AGAAMAPT

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-0636367-B1 Use of phenylalkylamines for producing cholesterol lowering agents HOFFMANN LA ROCHE (CH) 2000-03-29 EP disclosed
US-5637771-A Compound useful for lowering cholesterol HOFFMANN-LA ROCHE INC. (US) 1997-06-10 US disclosed
US-5574071-A ADMINISTERING PHENYLALKYLAMINO KETONES HOFFMANN-LA ROCHE INC. (US) 1996-11-12 US disclosed
US-5495048-A ANTICHOLESTEROL AGENTS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 US disclosed
EP-0636367-A1 Use of phenylalkylamines for producing cholesterol lowering agents F. HOFFMANN-LA ROCHE AG (CH) 1995-02-01 EP disclosed