SCHEMBL7946227

SCHEMBL7946227

COc1ccc(-c2c(S(C)(=O)=O)ccc(C(=O)c3cnn(C(C)(C)C)c3O)c2C)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.36
KMT2A Q03164 5/20 0.36
LMNA P02545 4/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 3/20 0.35
GLA P06280 1/20 0.35
HSD17B10 Q99714 2/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPK1 P28482 1/20 0.34
HPGD P15428 2/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PTGS2 P35354 1/20 0.33
NR1H2 P55055 1/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL5000921 0.88 MAPK1 (0.35) KMT2ALMNAKDM4EMEN1MAPT
SCHEMBL7946282 0.86 MAPT (0.36) PDE4BKMT2ALMNAKDM4EMAPT
SCHEMBL7948205 0.85 MELK (0.33)
SCHEMBL7949475 0.84 MELK (0.34) KDM4EALDH1A1PTGS2HTT
SCHEMBL7949538 0.82 FYN (0.32)
SCHEMBL7947385 0.82 PTGS2 (0.36) KDM4EMAPTHSD17B10HPGDALDH1A1
SCHEMBL7948308 0.82 PTGS2 (0.32) LMNAALDH1A1PTGS2POLB
SCHEMBL7939850 0.81 RIPK2 (0.40) KMT2ALMNAKDM4EMEN1MAPT
SCHEMBL7951450 0.79 GAA (0.34) KMT2AKDM4EMEN1MAPTMAPK1
SCHEMBL7949498 0.78 PTGS2 (0.38) LMNAMAPTALDH1A1PTGS2TP53

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
US-6265606-B1 TO CONTROL A BROAD SPECTRUM OF UNDESIRABLE VEGETATION, ARE SELECTIVE TO MAJOR CROPS, HAVE DESIRABLE ENVIRONMENTAL PROFILES, DOW AGROSCIENCES LLC 2001-07-24 US disclosed
US-6010981-A 1-alkyl-4-benzoyl-5-hydroxypyrazole compounds and their use as herbicides DOW AGROSCIENCES LLC (US) 2000-01-04 US disclosed