SCHEMBL7557997

SCHEMBL7557997

CC(C)CN(c1cc(Cl)ccc1C(=O)C(=CN(C)C)C(=O)C1CC1)S(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
GAA P10253 2/20 0.39
POLB P06746 3/20 0.37
MCOLN3 Q8TDD5 2/20 0.37
HTT P42858 2/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KCNH2 Q12809 1/20 0.33
MAPT P10636 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
SCHEMBL7557990 1.00 TSHR (0.39) TSHRGAAPOLBMCOLN3HTT
SCHEMBL7553102 0.89 TSHR (0.41) TSHRGAAPOLBMCOLN3HTT
SCHEMBL7553100 0.89 TSHR (0.41) TSHRGAAPOLBMCOLN3HTT
SCHEMBL7556546 0.87 TSHR (0.40) TSHRGAAPOLBMCOLN3HTT
SCHEMBL7556542 0.87 TSHR (0.40) TSHRGAAPOLBMCOLN3HTT
SCHEMBL8754785 0.79 POLB (0.39) TSHRGAAPOLBMCOLN3GLA
SCHEMBL7553065 0.78 FSCN1 (0.44) POLBGLAMAPT
SCHEMBL7553061 0.78 FSCN1 (0.44) POLBGLAMAPT
SCHEMBL7556986 0.78 GAA (0.43) TSHRGAAPOLBMCOLN3HTT
SCHEMBL7551736 0.77 POLB (0.32) TSHRPOLBMEN1KMT2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0734380-B1 4-BENZOYLISOXAZOLES AND THEIR USE AS HERBICIDES AVENTIS AGRICULTURE LTD (GB) 2002-07-10 EP disclosed
US-6369270-B1 CHEMICAL INTERMEDIATES RHONE POULENC AGRICULTURE LIMITED (GB) 2002-04-09 US disclosed
US-6114538-A 2-POSITION OF BENZOY RING OF 4-BENZOYLISOXAZOLE DERIVATIVE IS SUBSTITUTED AND PARTICULARLY USED AGAINST MONOCOTYLEDONOUS WEEDS BY POST-EMEREGENECE APPLICATION RHONE POULENC AGRICULTURE LIMITED (GB) 2000-09-05 US disclosed
US-5998653-A CHEMICAL INTERMEDIATE FOR HERBICIDES RHONE POULENC AGRICULTURE LIMITED (GB) 1999-12-07 US disclosed
EP-0734380-A1 4-BENZOYLISOXAZOLES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1996-10-02 EP disclosed
WO-1995016678-A1 4-BENZOYLISOXAZOLES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE LIMITED (GB) 1995-06-22 WO disclosed