SCHEMBL11136294

SCHEMBL11136294

CCOC(=O)CNc1c(C)cccc1C

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 9/20 0.59
POLB P06746 1/20 0.48
PPID Q08752 1/20 0.46
ELANE P08246 1/20 0.45
HTT P42858 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.44
ATM Q13315 1/20 0.44
TSHR P16473 1/20 0.43
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL11139213 0.90 NLRP3 (0.63) NLRP3POLBHTTMEN1KMT2A
SCHEMBL13971319 0.89 NLRP3 (0.52) NLRP3POLBPPIDELANEHTT
SCHEMBL11141775 0.88 MAPK1 (0.52) NLRP3POLBHTTMEN1KMT2A
SCHEMBL11138791 0.85 NLRP3 (0.46) NLRP3POLBMEN1KMT2ATDP1
SCHEMBL11135495 0.85 NLRP3 (0.46) NLRP3POLBMEN1KMT2AL3MBTL1
SCHEMBL13971318 0.85 NLRP3 (0.49) NLRP3POLBPPIDELANEHTT
SCHEMBL11147579 0.84 TSHR (0.46) NLRP3TDP1ALDH1A1TSHR
SCHEMBL10816379 0.84 NLRP3 (0.60) NLRP3POLBPPIDELANEHTT
SCHEMBL11136968 0.83 TSHR (0.44) NLRP3HTTMEN1KMT2ATDP1
SCHEMBL11140013 0.83 TSHR (0.48) NLRP3POLBALDH1A1TSHRHSD17B10

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
US-4402734-A N-(HALOALKYL)-N-(CARBOXYALKYL)ANILINE DERIVATIVE SUMITOMO CHEMICAL CO., LTD. (JP) 1983-09-06 US disclosed