SCHEMBL29951818

SCHEMBL29951818

CC(=O)c1cccc(-c2cccc(C(=O)O)c2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.70
LMNA P02545 1/20 0.62
GAA P10253 1/20 0.62
RXRA P19793 2/20 0.61
RXRB P28702 2/20 0.61
KEAP1 Q14145 1/20 0.53
ERN1 O75460 1/20 0.53
MAP4K4 O95819 1/20 0.53
CSNK1G2 P78368 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
MKNK2 Q9HBH9 1/20 0.53
MAP4K5 Q9Y4K4 1/20 0.53
HDAC2 Q92769 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA6 P23280 1/20 0.52
CA9 Q16790 1/20 0.52
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL3015814 1.00 KMO (0.70) KMOLMNAGAARXRARXRB
SCHEMBL10389918 0.91 MAP4K4 (0.59) KMOLMNAGAAMAP4K4CSNK1G2
SCHEMBL5517654 0.90 KMO (0.69) KMOLMNAGAARXRARXRB
SCHEMBL2943938 0.90 KMO (0.63) KMOLMNAGAARXRARXRB
SCHEMBL407605 0.89 KMO (0.67) KMOLMNAGAAMAP4K4CSNK1G2
SCHEMBL29446517 0.89 KMO (0.67) KMOLMNAGAAMAP4K4CSNK1G2
SCHEMBL246827 0.89 CA12 (0.58) KMOGAACA12CA1CA2
SCHEMBL29902348 0.89 CA12 (0.58) KMOGAACA12CA1CA2
SCHEMBL2586835 0.89 KMO (0.59) KMOLMNAGAAMAP4K4CSNK1G2
SCHEMBL71238 0.89 KMO (0.86) KMOLMNAGAARXRARXRB

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