SCHEMBL11548488

SCHEMBL11548488

O=C(O)C=Cc1cccc(OCC(O)CNc2ccc(Cl)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
PKM P14618 1/20 0.50
MAPT P10636 5/20 0.49
HDAC4 P56524 2/20 0.47
MEF2D Q14814 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
TAAR1 Q96RJ0 1/20 0.45
FFAR1 O14842 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
P2RX3 P56373 2/20 0.43
MAPK1 P28482 1/20 0.41

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
SCHEMBL11548051 0.89 MAPT (0.53) SMN1; SMN2KDM4EALDH1A1PKMMAPT
SCHEMBL11620901 0.87 MAPT (0.54) SMN1; SMN2ALDH1A1PKMMAPTHTT
SCHEMBL11546781 0.87 MAPT (0.54) SMN1; SMN2ALDH1A1PKMMAPTHTT
SCHEMBL11544902 0.87 MAPT (0.55) SMN1; SMN2KDM4EALDH1A1PKMMAPT
SCHEMBL11547208 0.87 ALDH1A1 (0.59) SMN1; SMN2KDM4EALDH1A1PKMMAPT
SCHEMBL11544924 0.81 NR4A2 (0.56) SMN1; SMN2MAPTHTTMEN1KMT2A
SCHEMBL11545984 0.81 KDM4E (0.52) SMN1; SMN2KDM4EALDH1A1PKMMAPT
SCHEMBL11551464 0.76 MAPT (0.55) SMN1; SMN2KDM4EALDH1A1PKMMAPT
SCHEMBL11683611 0.75 KDM4E (0.70) SMN1; SMN2KDM4EALDH1A1PKMHDAC4
SCHEMBL11683613 0.75 KDM4E (0.70) SMN1; SMN2KDM4EALDH1A1PKMHDAC4

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