SCHEMBL25756824

SCHEMBL25756824

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

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.48
SLC6A9 P48067 1/20 0.42
PIK3CD O00329 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
S1PR1 P21453 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.32
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32
USP2 O75604 1/20 0.32
GAA P10253 2/20 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
SCHEMBL24863381 1.00 HSD17B10 (0.48) HSD17B10SLC6A9PIK3CDMEN1KMT2A
SCHEMBL14536510 1.00 HSD17B10 (0.48) HSD17B10SLC6A9PIK3CDMEN1KMT2A
SCHEMBL21964966 0.94 HSD17B10 (0.44) HSD17B10SLC6A9PIK3CDMEN1KMT2A
SCHEMBL27390305 0.94 HSD17B10 (0.44) HSD17B10SLC6A9PIK3CDMEN1KMT2A
SCHEMBL23435282 0.90 HSD17B10 (0.41) HSD17B10SLC6A9PIK3CDKMT2AS1PR1
SCHEMBL24090577 0.90 HSD17B10 (0.41) HSD17B10SLC6A9PIK3CDALDH1A1
SCHEMBL24090587 0.89 CHRM5 (0.45) HSD17B10SLC6A9ALDH1A1
SCHEMBL29301953 0.87 HSD17B10 (0.39) HSD17B10SLC6A9PIK3CDS1PR1ALDH1A1
SCHEMBL22434575 0.87 MEN1 (0.40) HSD17B10SLC6A9MEN1KMT2AS1PR1
SCHEMBL18377888 0.87 HSD17B10 (0.39) HSD17B10SLC6A9PIK3CDMEN1KMT2A

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-20230203369-A1 RETROGRADE NEURONAL TRACERS DETECTABLE BY FLUORESCENCE AND OTHER IMAGING METHODS NORTHWESTERN UNIVERSITY (US) 2023-06-29 US disclosed