SCHEMBL9674644

SCHEMBL9674644

C/C(N)=C/C(=O)OCCCCCCCCCCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
LMNA P02545 2/20 0.51
TSHR P16473 2/20 0.51
MAPK1 P28482 2/20 0.51
NPC1 O15118 1/20 0.51
NR2F2 P24468 1/20 0.51
HTT P42858 1/20 0.51
HPGD P15428 4/20 0.50
NPSR1 Q6W5P4 2/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
HSD17B10 Q99714 1/20 0.48
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HDAC8 Q9BY41 3/20 0.47
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47

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
SCHEMBL10680557 1.00 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2LMNATSHRMAPK1
SCHEMBL9672977 1.00 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2LMNATSHRMAPK1
SCHEMBL10677970 1.00 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2LMNATSHRMAPK1
SCHEMBL10676222 0.99 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2LMNATSHRMAPK1
SCHEMBL9674431 0.99 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2LMNATSHRMAPK1
SCHEMBL10681970 0.95 MEN1 (0.51) ALDH1A1SMN1; SMN2LMNATSHRMAPK1
SCHEMBL10681979 0.95 MEN1 (0.51) ALDH1A1SMN1; SMN2LMNATSHRMAPK1
SCHEMBL9673762 0.90 MEN1 (0.60) ALDH1A1SMN1; SMN2LMNATSHRMAPK1
SCHEMBL10676530 0.90 MEN1 (0.60) ALDH1A1SMN1; SMN2LMNATSHRMAPK1
SCHEMBL23727144 0.83 HPGD (0.57) ALDH1A1SMN1; SMN2LMNATSHRMAPK1

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
EP-0250725-B1 1,4-DIHYDROPYRIDINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM HEUMANN PHARMA GMBH & CO (DE) 1992-11-04 EP disclosed
US-4757080-A Pharmaceuticals HEUMANN PHARMA GMBH & CO. (DE) 1988-07-12 US disclosed
EP-0250725-A1 1,4-Dihydropyridine derivatives, processes for their preparation and medicaments containing them HEUMANN PHARMA GMBH & CO (DE) 1988-01-07 EP disclosed