SCHEMBL30388652

SCHEMBL30388652

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 1/20 0.66
ALOX15 P16050 8/20 0.64
KDM4E B2RXH2 8/20 0.64
HSD17B10 Q99714 8/20 0.64
TDP1 Q9NUW8 7/20 0.64
RECQL P46063 5/20 0.64
HIF1A Q16665 4/20 0.64
USP2 O75604 3/20 0.64
PTGS2 P35354 3/20 0.64
ADORA3 P0DMS8 2/20 0.64
HTR2A P28223 2/20 0.64
EGFR P00533 2/20 0.64
FYN P06241 2/20 0.64
LCK P06239 2/20 0.64
PTGS1 P23219 1/20 0.64
SLC7A5 Q01650 1/20 0.64
HPGD P15428 7/20 0.63
ALOX12 P18054 6/20 0.63
MAPT P10636 6/20 0.63
POLB P06746 5/20 0.63

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
SCHEMBL17414653 1.00 KDM6B (0.66) KDM6BALOX15KDM4EHSD17B10TDP1
SCHEMBL1755353 1.00 KDM6B (0.66) KDM6BALOX15KDM4EHSD17B10TDP1
SCHEMBL17211513 1.00 KDM6B (0.66) KDM6BALOX15KDM4EHSD17B10TDP1
Water SCHEMBL7451516 0.98 KDM6B (0.64) KDM6BALOX15KDM4EHSD17B10TDP1
SCHEMBL13604872 0.86 ESR1 (0.53) KDM6BALOX15KDM4EHSD17B10TDP1
SCHEMBL12406009 0.86 KDM6B (0.49) KDM6BALOX15KDM4EHSD17B10TDP1
SCHEMBL26492417 0.85 ALOX15 (0.63) KDM6BALOX15KDM4EHSD17B10TDP1
SCHEMBL10307925 0.85 ALOX15 (0.63) KDM6BALOX15KDM4EHSD17B10TDP1
SCHEMBL23964692 0.84 CA2 (0.57) KDM6BALOX15KDM4EHSD17B10TDP1
SCHEMBL17504873 0.84 KDM6B (0.47) KDM6BALOX15KDM4EHSD17B10TDP1

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
CN-116036064-A Levodopa and carbidopa enteric gel and methods of use 艾伯维公司 2023-05-02 CN disclosed