SCHEMBL29956705

SCHEMBL29956705

N[C@H](C(=O)O)c1cc(C=O)ccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UNG P13051 1/20 0.36
HSD17B10 Q99714 5/20 0.34
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
TDP1 Q9NUW8 5/20 0.34
CYP2C9 P11712 3/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2D6 P10635 1/20 0.34
GRM8 O00222 1/20 0.34
GRM6 O15303 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
DRD3 P35462 1/20 0.34
GRM4 Q14833 1/20 0.34
KDM4E B2RXH2 5/20 0.33
ALDH1A1 P00352 5/20 0.33
GRM1 Q13255 5/20 0.33
HPGD P15428 4/20 0.33
GRM2 Q14416 2/20 0.33
CYP1A2 P05177 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
SCHEMBL29955410 1.00 UNG (0.36) UNGHSD17B10MEN1KMT2ATDP1
SCHEMBL2560561 0.81 TYR (0.35) UNGKDM4EALDH1A1PTGS2RAB9A
SCHEMBL2554581 0.81 TYR (0.35) UNGKDM4EALDH1A1PTGS2RAB9A
SCHEMBL2558546 0.77 KDM4E (0.32) KDM4EALDH1A1PTGS2RAB9A
SCHEMBL2560998 0.77 KDM4E (0.32) KDM4EALDH1A1PTGS2RAB9A
SCHEMBL14584178 0.76 MEN1 (0.42) HSD17B10MEN1KMT2ATDP1CYP2C9
SCHEMBL29952100 0.75 ALDH1A1 (0.37) HSD17B10KDM4EALDH1A1CYP3A4
SCHEMBL29957746 0.75 ALDH1A1 (0.37) HSD17B10KDM4EALDH1A1CYP3A4
SCHEMBL2559450 0.75
SCHEMBL15332272 0.75 FDPS (0.30)

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