SCHEMBL11545820

SCHEMBL11545820

CC(C)(C)c1ccc(OCC(O)CNc2cccc(C(=O)O)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.62
EPAS1 Q99814 1/20 0.62
MAPT P10636 7/20 0.61
GAA P10253 2/20 0.61
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.55
HTT P42858 1/20 0.55
NR1H4 Q96RI1 6/20 0.55
PPARA Q07869 3/20 0.50
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
ADRB1 P08588 1/20 0.48
ADRB3 P13945 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PPARG P37231 1/20 0.48
PPARD Q03181 1/20 0.48

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
SCHEMBL11544838 0.89 MAPT (0.61) HIF1AEPAS1MAPTGAAKDM4E
SCHEMBL11547431 0.86 MAPT (0.73) MAPTGAAKDM4EALDH1A1LMNA
SCHEMBL11549983 0.85 PPARA (0.61) MAPTSMN1; SMN2HTTNR1H4PPARA
SCHEMBL11549132 0.83 NR4A2 (0.67) HIF1AEPAS1MAPTKDM4EALDH1A1
SCHEMBL11573738 0.83 MAPT (0.56) MAPTGAAKDM4EALDH1A1LMNA
SCHEMBL11551464 0.82 MAPT (0.55) HIF1AEPAS1MAPTGAAKDM4E
Terbufibrol SCHEMBL2733943 0.78 NR4A2 (0.67) MAPTGAAKDM4EALDH1A1LMNA
SCHEMBL2954418 0.77 HIF1A (1.00) HIF1AEPAS1MAPTALDH1A1SMN1; SMN2
SCHEMBL30460318 0.77 HIF1A (1.00) HIF1AEPAS1MAPTALDH1A1SMN1; SMN2
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