SCHEMBL11547431

SCHEMBL11547431

CC(C)(C)c1ccc(OCC(O)CNc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.73
GAA P10253 2/20 0.73
ALDH1A1 P00352 3/20 0.58
LMNA P02545 2/20 0.58
KDM4E B2RXH2 1/20 0.58
HTT P42858 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
NR4A2 P43354 1/20 0.55
RXRA P19793 1/20 0.55
RXRB P28702 1/20 0.55
MEN1 O00255 1/20 0.52
HPGD P15428 1/20 0.52
MAPK1 P28482 1/20 0.52
KMT2A Q03164 1/20 0.52
EPHX2 P34913 1/20 0.50
NR1H4 Q96RI1 1/20 0.50
PLA2G4B P0C869 1/20 0.49
RARB P10826 1/20 0.49
RARG P13631 1/20 0.49
CYP2D6 P10635 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
Terbufibrol SCHEMBL2733943 0.87 NR4A2 (0.67) MAPTGAAALDH1A1LMNAKDM4E
SCHEMBL11545820 0.86 HIF1A (0.62) MAPTGAAALDH1A1LMNAKDM4E
SCHEMBL11544838 0.86 MAPT (0.61) MAPTGAAALDH1A1LMNAKDM4E
SCHEMBL11666560 0.84 MAPT (0.67) MAPTGAAALDH1A1LMNAKDM4E
SCHEMBL11576822 0.84 MAPT (0.67) MAPTGAAALDH1A1LMNAKDM4E
SCHEMBL11548347 0.84 MAPT (0.61) MAPTGAAALDH1A1HTTSMN1; SMN2
SCHEMBL11546865 0.84 MAPT (0.61) MAPTGAAALDH1A1HTTSMN1; SMN2
SCHEMBL11545891 0.83 MAPT (0.66) MAPTGAAALDH1A1LMNAKDM4E
SCHEMBL11545760 0.83 MAPT (0.66) MAPTGAAALDH1A1LMNAKDM4E
SCHEMBL11545950 0.80 MAPT (0.68) MAPTGAAALDH1A1LMNAKDM4E

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