SCHEMBL24592591

SCHEMBL24592591

COC(=O)c1c2c(c(C)c3c1CCC3)CCC2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 3/20 0.45
▸ MAPK1 P28482 2/20 0.44
▸ ALDH1A1 P00352 11/20 0.44
▸ KDM4E B2RXH2 7/20 0.44
▸ MAPT P10636 4/20 0.44
▸ HPGD P15428 4/20 0.44
▸ POLB P06746 2/20 0.44
▸ HSD17B10 Q99714 5/20 0.43
▸ GAA P10253 2/20 0.43
▸ CASP1 P29466 2/20 0.43
▸ CASP7 P55210 2/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40
▸ MAPK10 P53779 1/20 0.40

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
SCHEMBL21626290 0.83 ALDH1A1 (0.48) USP2MAPK1ALDH1A1KDM4EMAPT
SCHEMBL23957355 0.80 MAPT (0.41) USP2MAPK1ALDH1A1KDM4EMAPT
SCHEMBL23379153 0.76 USP2 (0.44) USP2MAPK1ALDH1A1KDM4EMAPT
SCHEMBL30888512 0.76 NLRP3 (0.42) USP2MAPK1ALDH1A1KDM4EMAPT
SCHEMBL18499679 0.75 ALDH1A1 (0.60) USP2MAPK1ALDH1A1KDM4EMAPT
SCHEMBL30625578 0.74 ALDH1A1 (0.35) USP2MAPK1ALDH1A1KDM4EMAPT
SCHEMBL4294165 0.74 LMNA (0.40) USP2MAPK1ALDH1A1KDM4EMAPT
SCHEMBL12819888 0.72 KDM4E (0.41) USP2MAPK1ALDH1A1KDM4EMAPT
SCHEMBL12819825 0.72 KDM4E (0.41) USP2MAPK1ALDH1A1KDM4EMAPT
SCHEMBL3321873 0.72 ALDH1A1 (0.61) USP2MAPK1ALDH1A1KDM4EMAPT

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
EP-3445756-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2022-07-06 — — EP disclosed
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