SCHEMBL22600490

SCHEMBL22600490

CCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
SIGMAR1 Q99720 2/20 0.46
S1PR1 P21453 1/20 0.43
TP53 P04637 1/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42
POLB P06746 1/20 0.42
NPC1 O15118 1/20 0.42
CASP2 P42575 1/20 0.42

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
SCHEMBL13032706 1.00 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AKDM4ETDP1
SCHEMBL26178992 0.95 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AKDM4ETDP1
SCHEMBL29300550 0.94 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AKDM4ETDP1
SCHEMBL18623944 0.94 SIGMAR1 (0.54) ALDH1A1MEN1KMT2AKDM4ETDP1
SCHEMBL24410021 0.94 MEN1 (0.46) ALDH1A1MEN1KMT2AKDM4ETDP1
SCHEMBL5547349 0.93 CASP2 (0.51) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL18118429 0.93 CASP2 (0.51) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL23824100 0.93 CASP2 (0.51) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL254811 0.93 CASP2 (0.51) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL6897984 0.93 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AKDM4ETDP1

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-2020219753-A1 HEPARANASE COMPOUNDS AND METHODS OF USE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2020-10-29 WO disclosed