SCHEMBL11548347

SCHEMBL11548347

O=C(O)c1ccc(NCC(O)COc2ccc(Cl)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
HTT P42858 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
NR4A2 P43354 1/20 0.52
GAA P10253 2/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
MAPK1 P28482 1/20 0.52
CYP1A2 P05177 1/20 0.50
PLA2G4B P0C869 1/20 0.49
KCNH2 Q12809 1/20 0.47

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
SCHEMBL11546865 1.00 MAPT (0.61) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL10950578 0.88 MAPT (0.61) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL11546333 0.86 CYP1A2 (0.65) MAPTMEN1KMT2ANR4A2MAPK1
SCHEMBL9335724 0.86 NR4A2 (0.51) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL11544924 0.85 NR4A2 (0.56) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL11549983 0.85 PPARA (0.61) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL11450956 0.85 MAPT (0.85) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL9339129 0.84 NR4A2 (0.49) MAPTMEN1KMT2ANR4A2MAPK1
SCHEMBL11547431 0.84 MAPT (0.73) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL10950575 0.83 KMT2A (0.53) MAPTHTTSMN1; SMN2MEN1KMT2A

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