SCHEMBL11544838

SCHEMBL11544838

CC(C)(C)c1ccc(NCC(O)COc2cccc(C(=O)O)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.61
GAA P10253 1/20 0.61
NR4A1 P22736 1/20 0.59
NR4A2 P43354 1/20 0.59
NR4A3 Q92570 1/20 0.59
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
HIF1A Q16665 1/20 0.51
EPAS1 Q99814 1/20 0.51
NR1H4 Q96RI1 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
CYP2D6 P10635 1/20 0.47
TP53 P04637 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
KMT2A Q03164 1/20 0.45

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
SCHEMBL11545820 0.89 HIF1A (0.62) MAPTGAANR4A1NR4A2NR4A3
SCHEMBL11547431 0.86 MAPT (0.73) MAPTGAANR4A2KDM4EALDH1A1
SCHEMBL11549132 0.86 NR4A2 (0.67) MAPTNR4A1NR4A2NR4A3KDM4E
SCHEMBL11544924 0.85 NR4A2 (0.56) MAPTNR4A1NR4A2NR4A3NR1H4
SCHEMBL11576906 0.83 MAPT (0.56) MAPTGAAKDM4EALDH1A1LMNA
SCHEMBL11544902 0.82 MAPT (0.55) MAPTGAAKDM4EALDH1A1LMNA
SCHEMBL11543497 0.80 NR4A2 (0.59) MAPTNR4A1NR4A2NR4A3KDM4E
SCHEMBL9741522 0.78 NR4A2 (0.61) NR4A1NR4A2NR4A3NR1H4KMT2A
SCHEMBL11576822 0.76 MAPT (0.67) MAPTGAAKDM4EALDH1A1LMNA
SCHEMBL11666560 0.76 MAPT (0.67) MAPTGAAKDM4EALDH1A1LMNA

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