SCHEMBL11545859

SCHEMBL11545859

O=C(O)c1cccc(OCC(O)COc2ccc(Cl)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 5/20 0.64
MRGPRX4 Q96LA9 2/20 0.60
NR4A1 P22736 1/20 0.56
NR4A3 Q92570 1/20 0.56
CYP1A2 P05177 1/20 0.56
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
TAAR1 Q96RJ0 1/20 0.54
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
PPARA Q07869 2/20 0.51
PPARG P37231 1/20 0.51
PLA2G4B P0C869 1/20 0.51
KMO O15229 1/20 0.50

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
SCHEMBL9741522 0.90 NR4A2 (0.61) NR4A2NR4A1NR4A3KMT2ANPC1
SCHEMBL11546333 0.85 CYP1A2 (0.65) NR4A2MRGPRX4CYP1A2KMT2AMEN1
SCHEMBL11545229 0.85 NR4A2 (0.56) NR4A2MRGPRX4NR4A1NR4A3KMT2A
SCHEMBL11544924 0.85 NR4A2 (0.56) NR4A2MRGPRX4NR4A1NR4A3KMT2A
SCHEMBL11549132 0.83 NR4A2 (0.67) NR4A2NR4A1NR4A3KMT2AMEN1
SCHEMBL11549983 0.82 PPARA (0.61) MRGPRX4KMT2AMEN1TAAR1NPC1
SCHEMBL7389290 0.82 PRSS1 (0.56) CYP1A2
SCHEMBL6938286 0.82 CYP1A2 (0.63) CYP1A2KMT2AMEN1NPC1RAB9A
SCHEMBL8417231 0.81 KMT2A (0.63) NR4A2NR4A1NR4A3KMT2APLA2G4B
Benzoic Acid SCHEMBL28105551 0.80 KMT2A (0.54) NR4A2MRGPRX4CYP1A2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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