SCHEMBL22705332

SCHEMBL22705332

C=CCc1c2c(cc3c1CCC3)CCC2

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
LMNA P02545 1/20 0.38
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NLRP3 Q96P20 2/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL8250071 0.79 MAPT (0.40) MAPTLMNAALDH1A1NLRP3
SCHEMBL25824365 0.76 MAPT (0.34) MAPTLMNA
SCHEMBL3693610 0.76 SRD5A1 (0.40) MAPTLMNAALDH1A1POLB
SCHEMBL3297780 0.76 KDM4E (0.31) MAPTALDH1A1TDP1
SCHEMBL8247890 0.75 MAPT (0.37) MAPTLMNAALDH1A1NLRP3
SCHEMBL25138953 0.73 NLRP3 (0.31) NLRP3
SCHEMBL9742957 0.72 KDM4E (0.38) ALDH1A1TSHRPOLB
SCHEMBL21962269 0.72 ACHE (0.35)
SCHEMBL11455327 0.71 MEN1 (0.40) LMNAALDH1A1TSHRNLRP3
SCHEMBL20713668 0.71 MAPT (0.47) MAPTLMNAALDH1A1TSHRNLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3658538-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-04-19 EP disclosed
EP-3445757-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RES INC (US) 2020-11-25 EP disclosed