SCHEMBL3474559

SCHEMBL3474559

CCOCC(Cl)C(=O)Nc1c(C)cccc1CC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.52
ALDH1A1 P00352 5/20 0.46
HSD17B10 Q99714 2/20 0.45
POLB P06746 2/20 0.45
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PTGS2 P35354 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
RAB9A P51151 1/20 0.43
HSP90AA1 P07900 1/20 0.43
ATM Q13315 1/20 0.43
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX12 P18054 1/20 0.42

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
SCHEMBL8470544 0.85 NLRP3 (0.51) NLRP3ALDH1A1HSD17B10POLBHTT
SCHEMBL11154411 0.82 NLRP3 (0.49) NLRP3ALDH1A1HSD17B10POLBHTT
SCHEMBL10950278 0.82 NLRP3 (0.54) NLRP3ALDH1A1HSD17B10POLBHTT
SCHEMBL27402352 0.80 ATM (0.52) NLRP3ALDH1A1HSD17B10POLBHTT
SCHEMBL9614310 0.80 PGR (0.51) ALDH1A1POLBSMN1; SMN2KMT2AMAPT
SCHEMBL9761567 0.79 NLRP3 (0.44) NLRP3ALDH1A1HTTMEN1KMT2A
SCHEMBL6901572 0.79 TDP1 (0.44) NLRP3ALDH1A1POLBMEN1KMT2A
SCHEMBL8074511 0.79 ATM (0.46) NLRP3ALDH1A1MEN1KMT2AMAPT
SCHEMBL10413256 0.78 ATM (0.48) NLRP3ALDH1A1MEN1KMT2AMAPT
SCHEMBL8462752 0.77 NLRP3 (0.39) NLRP3ALDH1A1HTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0778732-A1 SELECTIVE HERBICIDES BASED ON ARYL URACILS BAYER AG (DE) 1997-06-18 EP claimed
WO-1996007323-A1 SELECTIVE HERBICIDES BASED ON ARYL URACILS BAYER AKTIENGESELLSCHAFT (DE) 1996-03-14 WO claimed
EP-0580741-A1 PROCESS FOR CONDUCTING CHEMICAL REACTIONS WITH FORMALDEHYDE. ZENECA LTD (GB) 1994-02-02 EP claimed
WO-1992017441-A1 PROCESS FOR CONDUCTING CHEMICAL REACTIONS WITH FORMALDEHYDE ZENECA LIMITED (GB) 1992-10-15 WO claimed
EP-3876731-A1 COMPOSITIONS COMPRISING PYRIDINE CARBOXYLATE HERBICIDES AND VERY LONG CHAIN FATTY ACID (VLCFA) SYNTHESIS INHIBITOR HERBICIDES Corteva Agriscience LLC (US) 2021-09-15 EP disclosed
WO-2010127142-A2 USE OF LIGNOSULFONATES IN SUSPO-EMULSIONS FOR PRODUCING PESTICIDE COMPOSITIONS LIGNOTECH USA, INC. (US) 2010-11-04 WO disclosed
CN-1176050-A Phytocide composite WU WENTING (CN) 1998-03-18 CN disclosed