SCHEMBL7552035

SCHEMBL7552035

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.45
PSEN2 P49810 2/20 0.45
APH1B Q8WW43 2/20 0.45
NCSTN Q92542 2/20 0.45
APH1A Q96BI3 2/20 0.45
PSENEN Q9NZ42 2/20 0.45
MCOLN3 Q8TDD5 2/20 0.45
POLB P06746 2/20 0.45
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 2/20 0.43
TSHR P16473 3/20 0.42
CASP1 P29466 1/20 0.42
HTT P42858 3/20 0.42
MAPT P10636 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL7556634 0.89 MCOLN3 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7550410 0.83 KMT2A (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7553332 0.82 HTT (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7553850 0.80 GAA (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7683159 0.78 SMN1; SMN2 (0.46) POLBALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7556650 0.78 TSHR (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL27450785 0.75 HTT (0.58) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL7554639 0.75 TP53 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7556542 0.75 TSHR (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7556546 0.75 TSHR (0.40) PSEN1PSEN2APH1BNCSTNAPH1A

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