SCHEMBL7550331

SCHEMBL7550331

CCOC(=O)N(CC)c1c(C(=O)CC(=O)C2CC2)ccc(Cl)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.39
SLC6A2 P23975 3/20 0.39
SLC6A3 Q01959 1/20 0.34
HSD11B1 P28845 1/20 0.34
USP2 O75604 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM3 P20309 1/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 3/20 0.34
TSHR P16473 2/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL7554533 0.91 SLC6A2 (0.33) SLC6A4SLC6A2SLC6A3ALDH1A1TP53
SCHEMBL7557956 0.91 SLC6A4 (0.35) SLC6A4SLC6A2SLC6A3HSD11B1ALDH1A1
SCHEMBL7552036 0.89 ALDH1A1 (0.34) SLC6A4SLC6A2KMT2AALDH1A1TSHR
SCHEMBL7557892 0.88 SLC6A4 (0.39) SLC6A4SLC6A2SLC6A3USP2CHRM2
SCHEMBL7553022 0.87 SLC6A2 (0.33) SLC6A4SLC6A2SLC6A3KMT2ATP53
SCHEMBL7555545 0.82 SLC6A2 (0.35) SLC6A4SLC6A2SLC6A3CHRM2CHRM3
SCHEMBL7552749 0.80 CYP4F2 (0.45) SLC6A4SLC6A2USP2CHRM2CHRM3
SCHEMBL7552702 0.80 SLC6A2 (0.38) SLC6A4SLC6A2USP2KMT2AALDH1A1
SCHEMBL7553419 0.79 SLC6A4 (0.36) SLC6A4SLC6A2SLC6A3KMT2ATSHR
SCHEMBL7557202 0.78 LMNA (0.33) ALDH1A1TSHR

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