SCHEMBL7556546

SCHEMBL7556546

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
GAA P10253 2/20 0.40
POLB P06746 3/20 0.38
MCOLN3 Q8TDD5 2/20 0.38
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 2/20 0.35
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32

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
SCHEMBL7556542 1.00 TSHR (0.40) TSHRGAAPOLBMCOLN3TP53
SCHEMBL7553102 0.92 TSHR (0.41) TSHRGAAPOLBMCOLN3TP53
SCHEMBL7553100 0.92 TSHR (0.41) TSHRGAAPOLBMCOLN3TP53
SCHEMBL7557990 0.87 TSHR (0.39) TSHRGAAPOLBMCOLN3TP53
SCHEMBL7557997 0.87 TSHR (0.39) TSHRGAAPOLBMCOLN3TP53
SCHEMBL7551734 0.80 POLB (0.32) TSHRPOLBMEN1KMT2ALMNA
SCHEMBL7551736 0.80 POLB (0.32) TSHRPOLBMEN1KMT2ALMNA
SCHEMBL8754785 0.80 POLB (0.39) TSHRGAAPOLBMCOLN3GLA
SCHEMBL7553065 0.79 FSCN1 (0.44) POLBGLAMAPTALDH1A1CYP11B1
SCHEMBL7553061 0.79 FSCN1 (0.44) POLBGLAMAPTALDH1A1CYP11B1

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-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
US-5658858-A POSTEMERGENCE HERBICIDES RHONE-POULENC ARGRICULTURE LIMITED (GB) 1997-08-19 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