SCHEMBL30770437

SCHEMBL30770437

Nc1c2c(cc3c1C(O)CC3)CCC2

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.38
ACHE P22303 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NR3C1 P04150 1/20 0.31
KCNH2 Q12809 1/20 0.31
UGT2B17 O75795 2/20 0.31
BCHE P06276 4/20 0.30

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
SCHEMBL20681369 1.00 NLRP3 (0.38) NLRP3ACHECYP1A2CYP2C9TSHR
SCHEMBL20692313 0.79 NLRP3 (0.40) NLRP3UGT2B17
SCHEMBL22282197 0.79 NLRP3 (0.38) NLRP3UGT2B17
SCHEMBL30041743 0.79 BCHE (0.32) BCHE
SCHEMBL23674551 0.79 BCHE (0.32) BCHE
SCHEMBL23674508 0.79 BCHE (0.32) BCHE
SCHEMBL20692050 0.79 BCHE (0.32) BCHE
SCHEMBL22002675 0.79 NLRP3 (0.40) NLRP3UGT2B17
SCHEMBL22012824 0.79 NLRP3 (0.40) NLRP3UGT2B17
SCHEMBL23674470 0.79 LMNA (0.32) ALDH1A1

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-3880659-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2024-01-03 EP disclosed