SCHEMBL29953483

SCHEMBL29953483

CC(=O)Cc1ccc(O)c(C(=O)O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.67
CTSB P07858 1/20 0.67
MMP9 P14780 1/20 0.67
DNMT1 P26358 1/20 0.67
DNMT3B Q9UBC3 1/20 0.67
DNMT3L Q9UJW3 1/20 0.67
DNMT3A Q9Y6K1 1/20 0.67
LCK P06239 2/20 0.61
HNF4A P41235 2/20 0.59
KAT8 Q9H7Z6 2/20 0.57
CSNK2A1 P68400 1/20 0.53
MCL1 Q07820 5/20 0.53
EGFR P00533 1/20 0.53
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
PTGS2 P35354 2/20 0.52
CA12 O43570 1/20 0.52
ALOX5 P09917 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 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
SCHEMBL28208328 0.85 KLKB1 (0.71) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL28222381 0.85 CFD (0.46) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL29182113 0.81 KLKB1 (0.67) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL30929929 0.81 KLKB1 (0.67) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL5484868 0.81 HMGB1 (0.44) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL418713 0.81 KLKB1 (0.71) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL7150326 0.81 CA12 (0.59) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL29414416 0.80 KLKB1 (1.00) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL10950033 0.80 LCK (0.89) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL160646 0.80 KLKB1 (1.00) KLKB1CTSBMMP9DNMT1DNMT3B

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