SCHEMBL11086189

SCHEMBL11086189

COCc1[nH]n(C)c(=O)c1OC

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
PDE5A O76074 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE1C Q14123 1/20 0.33
ALOX5 P09917 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
TYK2 P29597 2/20 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
SCHEMBL16921623 0.82 PDE3B (0.33) MEN1KMT2A
SCHEMBL10878446 0.60 L3MBTL1 (0.47) L3MBTL1CYP1A2KDM4E
SCHEMBL16921622 0.53 PTGS2 (0.30)
SCHEMBL18633341 0.53 CYP19A1 (0.33) KMT2A
SCHEMBL12327913 0.51
SCHEMBL22606534 0.51 PKM (0.31)
SCHEMBL239276 0.51 CA9 (0.36) MEN1CYP1A2CYP3A4CYP2C19BLM
SCHEMBL14071570 0.51 POLB (0.38) CYP1A2TSHRKDM4E
SCHEMBL14071572 0.49 CA9 (0.35) MEN1CYP3A4KMT2AKDM4ETP53
SCHEMBL8213378 0.48 ALDH1A1 (0.44) CYP3A4KDM4E

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
EP-0033083-B1 N,N-DIALKYL -0-(PYRAZOL-5-YL)CARBAMATES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS INSECTICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1984-08-08 EP disclosed
US-4447444-A 1-Alkyl-3-alkoxymethyl-4-alkoxy-5-dialkylcarbamoyloxy pyrazoles and use as aphicides HOECHST AKTIENGESELLSCHAFT (DE) 1984-05-08 US disclosed
EP-0033083-A2 N,N-dialkyl -0-(pyrazol-5-yl)carbamates, process for their preparation and their use as insecticides HOECHST AKTIENGESELLSCHAFT (DE) 1981-08-05 EP disclosed