SCHEMBL6571321

SCHEMBL6571321

CS(=O)(=O)c1ccc(C(=O)O)c(Cl)c1COc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NR4A2 P43354 3/20 0.38
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
ATM Q13315 1/20 0.37
MCL1 Q07820 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PKM P14618 1/20 0.36
NPY1R P25929 1/20 0.36
NR4A1 P22736 1/20 0.36
NR4A3 Q92570 1/20 0.36

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
SCHEMBL9078012 0.83 LMNA (0.39) LMNAALDH1A1KMT2AMAPTCYP1A2
SCHEMBL6571078 0.82 HRH3 (0.34) LMNASMN1; SMN2
SCHEMBL9078255 0.81 ALDH1A1 (0.38) LMNAALDH1A1KMT2AMAPTCYP1A2
SCHEMBL7655253 0.79 MAPT (0.36) LMNAALDH1A1KMT2AMAPTHPGD
SCHEMBL9076945 0.79 LMNA (0.41) LMNAALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL28519054 0.79 LMNA (0.41) LMNAALDH1A1KMT2AMAPTCYP1A2
SCHEMBL23239114 0.78 LMNA (0.35) LMNAALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL16164256 0.78 LMNA (0.35) LMNAKMT2AMAPTCYP1A2CYP3A4
SCHEMBL31147083 0.77 LMNA (0.41) LMNAALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL4508862 0.77 LMNA (0.41) LMNAALDH1A1MAPTCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1117639-B1 BENZOYLCYCLOHEXANDIONES, METHOD FOR THE PRODUCTION AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE GMBH (DE) 2004-12-15 EP disclosed
US-6376429-B1 CONTROLLING WEEDS HOECHST SCHERING AGREVO GMBH (DE) 2002-04-23 US disclosed
EP-1117639-A1 BENZOYLCYCLOHEXANDIONES, METHOD FOR THE PRODUCTION AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS Aventis CropScience GmbH (DE) 2001-07-25 EP disclosed
WO-2000021924-A1 BENZOYLCYCLOHEXANDIONES, METHOD FOR THE PRODUCTION AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS AVENTIS CROPSCIENCE GMBH (DE) 2000-04-20 WO disclosed