SCHEMBL7554604

SCHEMBL7554604

CCN(c1c(C(=O)CC(=O)C2CC2)ccc(F)c1F)S(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.35
POLB P06746 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 3/20 0.31
MEN1 O00255 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM4E B2RXH2 1/20 0.31
DPP4 P27487 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
GAA P10253 1/20 0.31
NPC1 O15118 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL7554624 0.89 GRM5 (0.37) LMNAPOLBMCOLN3ALDH1A1KMT2A
SCHEMBL7554595 0.87 ALDH1A1 (0.33) LMNAALDH1A1KMT2ANPSR1GAA
SCHEMBL7556657 0.86 CYP3A4 (0.34) LMNAPOLBMCOLN3ALDH1A1KMT2A
SCHEMBL7551946 0.81 KMT2A (0.32) LMNAKMT2ASMN1; SMN2MAPTMEN1
SCHEMBL7554929 0.80 TSHR (0.40) POLBMCOLN3ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7551756 0.79 L3MBTL1 (0.37) POLBMCOLN3ALDH1A1KMT2AMAPT
SCHEMBL7550720 0.79 LMNA (0.47) LMNAPOLBMCOLN3ALDH1A1KMT2A
SCHEMBL7550426 0.78 ALDH1A1 (0.33) LMNAALDH1A1KMT2AMAPTNPSR1
SCHEMBL8489055 0.78 NPC1 (0.34) KMT2ASMN1; SMN2NPC1
SCHEMBL7552723 0.77 GAA (0.45) POLBMCOLN3ALDH1A1KMT2AMAPT

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