SCHEMBL28895143

SCHEMBL28895143

COC(=O)C1(Nc2ccc3c(c2)COC3=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
HSD17B10 Q99714 1/20 0.54
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 2/20 0.48
IMPDH2 P12268 5/20 0.47
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GAA P10253 1/20 0.47
NPC1 O15118 1/20 0.46
PDE4D Q08499 1/20 0.46
NR3C1 P04150 2/20 0.44
PGR P06401 2/20 0.44
NR3C2 P08235 1/20 0.44
PRMT3 O60678 1/20 0.42

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
SCHEMBL5764438 0.74 MAPT (0.68) MAPTHSD17B10KDM4EALDH1A1IMPDH2
SCHEMBL29606212 0.72 MAPT (0.66) MAPTHSD17B10KDM4EALDH1A1IMPDH2
SCHEMBL26133742 0.71 PPIA (0.45) MAPTHSD17B10ALDH1A1GAAPDE4D
SCHEMBL3029409 0.71 MAPT (0.55) MAPTHSD17B10KDM4EALDH1A1IMPDH2
SCHEMBL28895136 0.70 CYP1A2 (0.47) MAPTHSD17B10KDM4EALDH1A1POLB
SCHEMBL22271481 0.70 MAPT (0.60) MAPTHSD17B10KDM4EALDH1A1IMPDH2
SCHEMBL28895292 0.70 CYP1A2 (0.50) MAPTHSD17B10KDM4EALDH1A1POLB
SCHEMBL5558567 0.70 MAPT (0.61) MAPTHSD17B10KDM4EALDH1A1POLB
SCHEMBL13906680 0.69 MAPT (0.62) MAPTHSD17B10KDM4EALDH1A1IMPDH2
SCHEMBL28895242 0.69 CYP1A2 (0.49) MAPTHSD17B10KDM4EALDH1A1POLB

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-114315805-A Aromatic ring-fused cyclic lactone thiohydantoin compound and preparation method and application thereof 中国科学院上海药物研究所 2022-04-12 CN disclosed