SCHEMBL29954077

SCHEMBL29954077

N[C@@H]1CCN(CC(=O)O)C1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.41
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
LTA4H P09960 1/20 0.36
ITGB3 P05106 3/20 0.35
ITGA2B P08514 3/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
ACE P12821 1/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
CACNA1B Q00975 2/20 0.33
GNAI3 P08754 2/20 0.32
GNAO1 P09471 2/20 0.32
GNAI1 P63096 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
SCHEMBL2362301 1.00 HSD17B10 (0.41) HSD17B10HRH2HRH1LTA4HITGB3
SCHEMBL2362299 1.00 HSD17B10 (0.41) HSD17B10HRH2HRH1LTA4HITGB3
SCHEMBL29307370 0.88 HSD17B10 (0.38) HSD17B10ITGB3ITGA2BSMN1; SMN2ACE
SCHEMBL188132 0.87 HSD17B10 (0.48) HSD17B10ITGB3ITGA2BALOX15SMN1; SMN2
SCHEMBL1644494 0.87 HSD17B10 (0.48) HSD17B10ITGB3ITGA2BALOX15SMN1; SMN2
Hydrochloric Acid SCHEMBL25226809 0.85 HSD17B10 (0.47) HSD17B10ITGB3ITGA2BALOX15SMN1; SMN2
SCHEMBL1063621 0.83 KDM4E (0.45) HRH2HRH1LTA4HSMN1; SMN2GNAI3
SCHEMBL1006226 0.83 KDM4E (0.45) HRH2HRH1LTA4HSMN1; SMN2GNAI3
SCHEMBL5848866 0.83 KDM4E (0.45) HRH2HRH1LTA4HSMN1; SMN2GNAI3
SCHEMBL12226501 0.82 HRH2 (0.44) HRH2HRH1LTA4HSMN1; SMN2GNAI3

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed