SCHEMBL29957769

SCHEMBL29957769

COC(=O)[C@H](N)Cc1cccc(C=O)c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 5/20 0.51
ALDH1A1 P00352 1/20 0.48
NOS3 P29474 2/20 0.43
NOS1 P29475 2/20 0.43
NOS2 P35228 2/20 0.43
F10 P00742 3/20 0.41
GRIA2 P42262 1/20 0.40
LTA4H P09960 1/20 0.40

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
SCHEMBL29953654 1.00 SLC7A5 (0.51) SLC7A5ALDH1A1NOS3NOS1NOS2
SCHEMBL8295626 0.89 SLC7A5 (0.49) SLC7A5ALDH1A1NOS3NOS1NOS2
SCHEMBL29834090 0.86 CYP4F2 (0.44) SLC7A5ALDH1A1F10LTA4H
SCHEMBL26447112 0.86 CYP4F2 (0.44) SLC7A5ALDH1A1F10LTA4H
SCHEMBL28432313 0.86 CYP4F2 (0.44) SLC7A5ALDH1A1F10LTA4H
SCHEMBL8903639 0.85 SLC7A5 (0.45) SLC7A5ALDH1A1F10
SCHEMBL29956618 0.83 ALDH1A1 (0.48) SLC7A5ALDH1A1NOS3NOS1NOS2
SCHEMBL4073891 0.83 ALDH1A1 (0.48) SLC7A5ALDH1A1NOS3NOS1NOS2
SCHEMBL12028942 0.83 ALDH1A1 (0.48) SLC7A5ALDH1A1NOS3NOS1NOS2
SCHEMBL29733178 0.83 MAOA (0.51) SLC7A5ALDH1A1GRIA2LTA4H

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