SCHEMBL11544902

SCHEMBL11544902

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.55
GAA P10253 2/20 0.55
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.48
PKM P14618 1/20 0.47
HTT P42858 2/20 0.44
CYP2D6 P10635 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
FFAR1 O14842 1/20 0.42
HDAC4 P56524 1/20 0.41
MEF2D Q14814 1/20 0.41
ABCB1 P08183 2/20 0.41
EPOR P19235 1/20 0.40
CYP26B1 Q9NR63 1/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL11551464 0.90 MAPT (0.55) MAPTGAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL11545760 0.88 MAPT (0.66) MAPTGAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL11545891 0.88 MAPT (0.66) MAPTGAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL11546998 0.87 ALDH1A1 (0.58) MAPTGAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL11548488 0.87 SMN1; SMN2 (0.52) MAPTALDH1A1KDM4ESMN1; SMN2PKM
SCHEMBL11544838 0.82 MAPT (0.61) MAPTGAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL11546802 0.82 KDM4E (0.52) MAPTALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL11576906 0.79 MAPT (0.56) MAPTGAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL11545950 0.78 MAPT (0.68) MAPTGAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL11548051 0.76 MAPT (0.53) MAPTALDH1A1KDM4ESMN1; SMN2PKM

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