SCHEMBL20764819

SCHEMBL20764819

NC(=O)CCCO[C@@H]1CCCCO1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
KDM4C Q9H3R0 1/20 0.37
POLB P06746 2/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ICAM1 P05362 1/20 0.34
SELE P16581 1/20 0.34
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 2/20 0.31

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
SCHEMBL9788 1.00 MEN1 (0.53) MEN1KMT2AKDM4CPOLBLMNA
SCHEMBL15914347 0.97 KMT2A (0.53) MEN1KMT2AKDM4CPOLBLMNA
SCHEMBL10704936 0.95 MEN1 (0.56) MEN1KMT2AKDM4CPOLBLMNA
SCHEMBL9731947 0.95 MEN1 (0.56) MEN1KMT2AKDM4CPOLBLMNA
SCHEMBL15914379 0.95 MEN1 (0.56) MEN1KMT2AKDM4CPOLBLMNA
SCHEMBL15914955 0.95 MEN1 (0.56) MEN1KMT2AKDM4CPOLBLMNA
SCHEMBL11539684 0.92 MEN1 (0.48) MEN1KMT2AKDM4CPOLBLMNA
SCHEMBL24776345 0.87 MEN1 (0.57) MEN1KMT2AKDM4CPOLBLMNA
SCHEMBL3280586 0.87 MEN1 (0.53) MEN1KMT2AKDM4CPOLBLMNA
SCHEMBL6879144 0.85 MEN1 (0.52) MEN1KMT2AKDM4CPOLBLMNA

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
WO-2019038362-A1 ANTIBACTERIAL PYRROLOIMIDAZOLONES IDORSIA PHARMACEUTICALS LTD (CH) 2019-02-28 WO disclosed