SCHEMBL20052047

SCHEMBL20052047

CCN1CCN(CC(=O)O)CCN(CC(C)=O)CCN(CC(=O)O)CC1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
S1PR1 P21453 1/20 0.39
HSD11B1 P28845 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL13698376 0.91 HSD17B10 (0.52) HSD17B10KDM4EALDH1A1LMNAS1PR1
SCHEMBL19766443 0.91 HSD17B10 (0.52) HSD17B10KDM4EALDH1A1LMNAS1PR1
SCHEMBL17971054 0.91 MEN1 (0.48) MEN1KMT2AATMKDM4EALDH1A1
SCHEMBL16220530 0.91 HSD17B10 (0.52) HSD17B10KDM4EALDH1A1LMNAS1PR1
SCHEMBL5517050 0.91 HSD17B10 (0.52) HSD17B10MEN1KMT2AKDM4EALDH1A1
SCHEMBL16645332 0.91 HSD17B10 (0.52) HSD17B10MEN1KMT2AKDM4EALDH1A1
SCHEMBL12344753 0.91 HSD17B10 (0.52) HSD17B10KDM4EALDH1A1LMNAS1PR1
SCHEMBL21547377 0.91 HSD17B10 (0.52) HSD17B10MEN1KMT2AKDM4EALDH1A1
SCHEMBL21764407 0.91 HSD17B10 (0.52) HSD17B10KDM4EALDH1A1LMNAS1PR1
SCHEMBL12640341 0.91 MEN1 (0.48) MEN1KMT2AATMKDM4EALDH1A1

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
US-9943614-B2 Cationic steroid antimicrobial diagnostic, detection, screening and imaging methods BRIGHAM YOUNG UNIVERSITY (US) 2018-04-17 US disclosed