SCHEMBL30445352

SCHEMBL30445352

CC1(C)COc2cc(C(=O)O)cnc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.41
RARA P10276 9/20 0.41
RARG P13631 9/20 0.41
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
POLB P06746 1/20 0.36
RXRA P19793 4/20 0.36
RXRB P28702 2/20 0.36
RXRG P48443 2/20 0.36
PPARG P37231 1/20 0.36
HCAR3 P49019 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MGAM O43451 1/20 0.35

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
SCHEMBL26152006 1.00 RARB (0.41) RARBRARARARGALDH1A1MAPK1
SCHEMBL26151991 0.85 RARB (0.45) RARBRARARARGPOLBRXRA
SCHEMBL30445642 0.85 RARB (0.45) RARBRARARARGPOLBRXRA
SCHEMBL26152005 0.84 RARB (0.44) RARBRARARARGALDH1A1MAPK1
SCHEMBL30445637 0.84 RARB (0.44) RARBRARARARGALDH1A1MAPK1
SCHEMBL21201892 0.75 ALK (0.36) RARBRARARARGALDH1A1MAPK1
SCHEMBL30133833 0.74 MGAM (0.37) RARBRARARARGALDH1A1MAPK1
SCHEMBL21201856 0.73 ALK (0.35) RARBRARARARGALDH1A1MAPK1
SCHEMBL31525543 0.71 HTR2B (0.35) ALDH1A1MAPK1KDM4EHSD17B10
SCHEMBL1021435 0.71 RARB (0.56) RARBRARARARGALDH1A1MAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4405344-A2 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS Xenon Pharmaceuticals Inc. (CA) 2024-07-31 EP disclosed
CN-118251389-A Pyridyl derivatives as sodium channel activators 泽农医药公司 2024-06-25 CN disclosed
WO-2023049369-A2 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS XENON PHARMACEUTICALS INC. (CA) 2023-03-30 WO disclosed