SCHEMBL7553433

SCHEMBL7553433

CCN(c1c(C(=O)O)ccc(SC)c1Cl)S(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 1/20 0.34
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPK1 P28482 1/20 0.33
USP2 O75604 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GAA P10253 1/20 0.32
GRIN1 Q05586 2/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 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
SCHEMBL7552041 0.84 LMNA (0.38) ALDH1A1HSD17B10LMNASMN1; SMN2MAPK1
SCHEMBL7638566 0.83 LMNA (0.42) ALDH1A1HSD17B10LMNASMN1; SMN2MAPK1
SCHEMBL7550426 0.81 ALDH1A1 (0.33) ALDH1A1LMNAMAPK1USP2NPSR1
SCHEMBL7552814 0.76 LMNA (0.40) ALDH1A1HSD17B10LMNASMN1; SMN2MAPK1
SCHEMBL7554512 0.75 MAPK1 (0.45) ALDH1A1HSD17B10LMNASMN1; SMN2MAPK1
SCHEMBL7553059 0.75 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2NPSR1
SCHEMBL7558079 0.74
SCHEMBL7558086 0.74
SCHEMBL7550720 0.72 LMNA (0.47) ALDH1A1HSD17B10LMNASMN1; SMN2MAPK1
SCHEMBL7552015 0.72 HSD17B10 (0.36) ALDH1A1HSD17B10LMNASMN1; SMN2KMT2A

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