SCHEMBL4774766

SCHEMBL4774766

O=C1CCCN(C(=O)O)c2ccc(Cl)nc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
FGFR4 P22455 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NOTUM Q6P988 1/20 0.33
MAPK1 P28482 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TSHR P16473 1/20 0.32
CYP11B2 P19099 2/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32

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
SCHEMBL7238950 0.79 CYP11B2 (0.36) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL1816723 0.77 FGFR4 (0.43) MEN1KMT2ASMN1; SMN2FGFR4NOTUM
SCHEMBL23860818 0.73 FGFR4 (0.40) SMN1; SMN2FGFR4NOTUM
SCHEMBL3948225 0.69 HDAC1 (0.61) KDM4EHSD17B10SMN1; SMN2HDAC1HDAC6
SCHEMBL30002194 0.68 MAOA (0.38) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL6635128 0.68 MAOA (0.38) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL22397505 0.68 IDO1 (0.37) HSD17B10SMN1; SMN2NOTUMMAPTTSHR
SCHEMBL3656037 0.67 PDK1 (0.59) KDM4EHSD17B10SMN1; SMN2
SCHEMBL29029085 0.67 CYP11B2 (0.40) ALDH1A1KDM4EHSD17B10SMN1; SMN2FGFR4
SCHEMBL3398754 0.67 GRM5 (0.38)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732933-B1 COMPOUNDS FOR TREATING DYSLIPIDEMIA LILLY CO ELI (US) 2008-07-23 EP disclosed