SCHEMBL11546802

SCHEMBL11546802

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
PKM P14618 1/20 0.47
PPARD Q03181 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CYP26B1 Q9NR63 4/20 0.41
CYP26A1 O43174 2/20 0.41
EPOR P19235 1/20 0.40
BACE1 P56817 1/20 0.40
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39
RHOA P61586 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL11546806 0.88 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2PPARDNPC1
SCHEMBL11546998 0.87 ALDH1A1 (0.58) KDM4EALDH1A1SMN1; SMN2PKMRAB9A
SCHEMBL11545984 0.87 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2PKMNPC1
SCHEMBL11543497 0.82 NR4A2 (0.59) KDM4ESMN1; SMN2PPARDNPC1RAB9A
SCHEMBL11544902 0.82 MAPT (0.55) KDM4EALDH1A1SMN1; SMN2PKMCYP26B1
SCHEMBL11574926 0.79 PPARD (0.46) KDM4ESMN1; SMN2PPARDNPC1RAB9A
SCHEMBL11551464 0.76 MAPT (0.55) KDM4EALDH1A1SMN1; SMN2PKMCYP26B1
SCHEMBL11543976 0.76 CYP1A2 (0.51) KDM4EALDH1A1SMN1; SMN2CYP26B1TRPV1
SCHEMBL11683611 0.75 KDM4E (0.70) KDM4EALDH1A1SMN1; SMN2PKMEPOR
SCHEMBL11683613 0.75 KDM4E (0.70) KDM4EALDH1A1SMN1; SMN2PKMEPOR

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