SCHEMBL20692255

SCHEMBL20692255

C[C@H]1Cc2cc3c(cc2C1=O)CC3

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 16/20 0.59
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CDC25B P30305 1/20 0.34

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
SCHEMBL29775276 0.92 ACHE (0.56) ACHEKDM4EMEN1ALDH1A1GAA
SCHEMBL865194 0.92 ACHE (0.56) ACHEKDM4EMEN1ALDH1A1GAA
SCHEMBL24784456 0.92 ACHE (0.56) ACHEKDM4EMEN1ALDH1A1GAA
SCHEMBL410953 0.92 ACHE (0.56) ACHEKDM4EMEN1ALDH1A1GAA
SCHEMBL8255700 0.86 ACHE (0.58) ACHEKDM4EMEN1ALDH1A1GAA
SCHEMBL18009557 0.81 ACHE (0.53) ACHEKDM4EMEN1ALDH1A1GAA
SCHEMBL8990233 0.81 ACHE (0.64) ACHEKDM4EALDH1A1MAPTHPGD
SCHEMBL8091521 0.79 ACHE (0.69) ACHEKDM4EMEN1ALDH1A1GAA
SCHEMBL29621066 0.79 ACHE (0.61) ACHEKDM4EMEN1ALDH1A1GAA
SCHEMBL8099829 0.79 ACHE (0.69) ACHEKDM4EMEN1ALDH1A1GAA

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
WO-2020102576-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed
WO-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed
WO-2019023147-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY IFM Tre, Inc. (US) 2019-01-31 WO disclosed