SCHEMBL11545229

SCHEMBL11545229

O=C(O)c1cccc(OCC(O)CSc2ccc(Cl)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 5/20 0.56
NR4A1 P22736 1/20 0.50
NR4A3 Q92570 1/20 0.50
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MRGPRX4 Q96LA9 2/20 0.47
BACE1 P56817 1/20 0.46
NR1H4 Q96RI1 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
ABCB1 P08183 3/20 0.43

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
SCHEMBL11543497 0.85 NR4A2 (0.59) NR4A2NR4A1NR4A3KMT2AMEN1
SCHEMBL11546746 0.85 NPC1 (0.54) NR4A2KMT2AMEN1NPC1RAB9A
SCHEMBL11545859 0.85 NR4A2 (0.64) NR4A2NR4A1NR4A3KMT2AMEN1
SCHEMBL11573595 0.82 BACE1 (0.47) KMT2AMEN1TAAR1NPC1RAB9A
SCHEMBL11545984 0.81 KDM4E (0.52) KMT2AMEN1TAAR1NPC1RAB9A
SCHEMBL9741522 0.80 NR4A2 (0.61) NR4A2NR4A1NR4A3KMT2ANPC1
SCHEMBL11544924 0.79 NR4A2 (0.56) NR4A2NR4A1NR4A3KMT2AMEN1
SCHEMBL5476778 0.78 NPC1 (0.68) KMT2AMEN1NPC1RAB9ABACE1
SCHEMBL9770455 0.78 BACE1 (0.58) KMT2ANPC1RAB9ABACE1
SCHEMBL9770526 0.77 BACE1 (0.52) BACE1ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4144351-A ANTICHOLESTEROL KLINGE PHARMA GMBH & CO. (DE) 1979-03-13 US disclosed
US-4109013-A SUBSTITUTED PROPANOL-(2) DERIVATIVES OF HYDROXAMIC ACIDS AND THE USE THEREOF AS HYPOLIPEMIC DRUGS KLINGE PHARMA GMBH & CO. (DE) 1978-08-22 US disclosed
US-4073935-A Substituted propanol-(2)-derivatives and their nicotinic acid esters, and process for their preparation, and the use thereof as hypolipemic drugs KLINGE PHARMA GMBH & CO. (DT) 1978-02-14 US disclosed