SCHEMBL7559624

SCHEMBL7559624

CCOC(=O)c1ccc(Br)c(OCC)c1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
TSHR P16473 1/20 0.49
CA12 O43570 4/20 0.45
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA7 P43166 4/20 0.45
CA9 Q16790 4/20 0.45
CA14 Q9ULX7 4/20 0.45
USP2 O75604 1/20 0.43
ALOX15 P16050 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
THRB P10828 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40

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
SCHEMBL9119101 0.89 TSHR (0.45) MAPTMEN1KMT2ANPSR1TSHR
SCHEMBL6425637 0.88 TSHR (0.44) MAPTMEN1KMT2ANPSR1TSHR
SCHEMBL8492599 0.87 MAPT (0.52) MAPTMEN1KMT2ANPSR1TSHR
SCHEMBL9304224 0.87 MAPT (0.51) MAPTMEN1KMT2ANPSR1TSHR
SCHEMBL6695927 0.87 MEN1 (0.46) MAPTMEN1KMT2ANPSR1TSHR
SCHEMBL8309761 0.87 KMT2A (0.43) MAPTMEN1KMT2ANPSR1TSHR
SCHEMBL8491964 0.87 KMT2A (0.44) MAPTMEN1KMT2ANPSR1TSHR
SCHEMBL6425518 0.87 TSHR (0.42) MAPTMEN1KMT2ANPSR1TSHR
SCHEMBL9736115 0.86 TSHR (0.55) MAPTMEN1KMT2ANPSR1TSHR
SCHEMBL292394 0.86 TSHR (0.63) MAPTMEN1KMT2ANPSR1TSHR

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