SCHEMBL29953835

SCHEMBL29953835

C=CCC[C@H](N)CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
BLM P54132 1/20 0.42
SLC6A3 Q01959 1/20 0.42
MEN1 O00255 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
ABCC4 O15439 1/20 0.39
MAPT P10636 1/20 0.39
S1PR2 O95136 1/20 0.37
S1PR1 P21453 1/20 0.37
ENPEP Q07075 5/20 0.34
ANPEP P15144 3/20 0.34
GRIK1 P39086 2/20 0.34
GRIK2 Q13002 2/20 0.34
DDAH1 O94760 1/20 0.34
GABRR1 P24046 2/20 0.33

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
SCHEMBL29956660 1.00 SLC6A2 (0.42) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL3264929 1.00 SLC6A2 (0.42) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL1225888 0.80 S1PR2 (0.38) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL7362116 0.78 S1PR2 (0.37) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL7621515 0.77 ABCC4 (0.41) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL2033611 0.77
SCHEMBL88551 0.77
SCHEMBL264240 0.77
SCHEMBL11373754 0.76 ALDH1A1 (0.46) TSHRMAPTDDAH1LMNA
SCHEMBL6666416 0.76 ENPEP (0.46) S1PR2S1PR1ENPEPANPEPGRIK1

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