SCHEMBL7557883

SCHEMBL7557883

CCOC(=O)N(CC)c1cc(Cl)ccc1C(=O)c1cnoc1C1CC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP3A4 P08684 2/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
TSHR P16473 2/20 0.33
GAA P10253 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CFTR P13569 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
SCHEMBL7550298 0.92 ALDH1A1 (0.34) ALDH1A1KDM4ECYP3A4KMT2AMEN1
SCHEMBL7558422 0.91 TSHR (0.36) ALDH1A1KDM4ECYP3A4KMT2AMEN1
SCHEMBL7643223 0.89 ALDH1A1 (0.36) ALDH1A1KDM4ECYP3A4KMT2AMEN1
SCHEMBL7551952 0.87 DHODH (0.41) KDM4ECYP3A4KMT2AMEN1RAB9A
SCHEMBL7557056 0.86 KMT2A (0.35) ALDH1A1KDM4ECYP3A4KMT2AMEN1
SCHEMBL7552058 0.84 KMT2A (0.38) ALDH1A1KDM4EKMT2AMEN1TDP1
SCHEMBL7552064 0.83 STAT3 (0.34) ALDH1A1KDM4ECYP3A4KMT2AMEN1
SCHEMBL7552560 0.83 SLC6A4 (0.35) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL7550856 0.81 SLC6A3 (0.35) ALDH1A1KMT2ARAB9ATSHRSMN1; SMN2
SCHEMBL27410983 0.80 TSHR (0.32) ALDH1A1KDM4ECYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5658858-A POSTEMERGENCE HERBICIDES RHONE-POULENC ARGRICULTURE LIMITED (GB) 1997-08-19 US claimed
CN-1137271-A 4-benzoylisoxazoles and their use as herbicides RHONE POULENC AGRICULTURE (GB) 1996-12-04 CN claimed
EP-0734380-A1 4-BENZOYLISOXAZOLES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1996-10-02 EP claimed
WO-1995016678-A1 4-BENZOYLISOXAZOLES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE LIMITED (GB) 1995-06-22 WO claimed
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
CN-1137271-A 4-benzoylisoxazoles and their use as herbicides RHONE POULENC AGRICULTURE (GB) 1996-12-04 CN 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