SCHEMBL29954040

SCHEMBL29954040

CC(=O)c1nc(C(=O)O)c[nH]1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
ALOX15 P16050 2/20 0.37
TSHR P16473 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
ACMSD Q8TDX5 1/20 0.37
HIF1A Q16665 1/20 0.35
HCAR2 Q8TDS4 7/20 0.35
DAO P14920 1/20 0.35
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NOTUM Q6P988 3/20 0.33
HCAR3 P49019 1/20 0.32
MGAM O43451 1/20 0.31
ECE1 P42892 1/20 0.30

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
SCHEMBL1666899 0.87 ALDH1A1 (0.34)
SCHEMBL87944 0.85 ALOX15 (0.41) KDM4EALOX15TSHRTDP1ACMSD
SCHEMBL4030743 0.79 LMNA (0.38) KDM4EALOX15TSHRTDP1ACMSD
SCHEMBL3706189 0.79 KDM4E (0.42) KDM4ETSHRTDP1HCAR2LMNA
SCHEMBL20744130 0.79 CREBBP (0.37) KDM4ETSHRLMNA
SCHEMBL14393519 0.79 MAPK1 (0.41) KDM4ELMNA
SCHEMBL311179 0.78 KDM4E (0.35) KDM4EALOX15TSHRTDP1ACMSD
SCHEMBL21668044 0.75 L3MBTL1 (0.30) L3MBTL1
SCHEMBL20745198 0.74 CYP1A2 (0.50) KDM4ETSHRL3MBTL1
SCHEMBL6129574 0.74 HPGDS (0.34) KDM4EALOX15TSHRTDP1ACMSD

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