SCHEMBL15468170

SCHEMBL15468170

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

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.52
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
HSD11B1 P28845 2/20 0.43
S1PR1 P21453 1/20 0.42
MAPT P10636 1/20 0.42
GAA P10253 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
SCHEMBL5517050 1.00 HSD17B10 (0.52) HSD17B10MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL126194 1.00 HSD17B10 (0.52) HSD17B10MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL21547377 1.00 HSD17B10 (0.52) HSD17B10MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL12344760 1.00 HSD17B10 (0.52) HSD17B10MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL16645332 1.00 HSD17B10 (0.52) HSD17B10MEN1KMT2AKDM4ESMN1; SMN2
Bromide SCHEMBL2542868 0.98 HSD17B10 (0.50) HSD17B10MEN1KMT2AKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL1375642 0.98 HSD17B10 (0.50) HSD17B10MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL16645317 0.93 HSD17B10 (0.47) HSD17B10MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL29299530 0.91 HSD17B10 (0.45) HSD17B10MEN1KMT2AKDM4EALDH1A1
SCHEMBL20686921 0.91 HSD17B10 (0.45) HSD17B10MEN1KMT2AKDM4EALDH1A1

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-8648176-B2 Engineered proteins with high affinity for DOTA chelates MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-02-11 US disclosed