SCHEMBL7582968

SCHEMBL7582968

CCOC(=O)c1ccc(Cl)c(Br)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.55
CYP4A11 Q02928 1/20 0.55
TSHR P16473 1/20 0.50
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
CA12 O43570 4/20 0.46
CA9 Q16790 4/20 0.46
CA7 P43166 3/20 0.46
CA14 Q9ULX7 3/20 0.46
BAZ2B Q9UIF8 1/20 0.44
BAZ2A Q9UIF9 1/20 0.44
METTL3 Q86U44 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 1/20 0.43
MAPK1 P28482 1/20 0.41
MAOB P27338 1/20 0.41
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CASP1 P29466 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
SCHEMBL30093973 0.84 CYP4F2 (0.55) CYP4F2CYP4A11TSHRCA1CA2
SCHEMBL6160953 0.83 TSHR (0.53) CYP4F2CYP4A11TSHRCA1CA2
SCHEMBL31636602 0.83 ABL1 (0.45) TSHRCA1CA2CA12CA9
SCHEMBL7582549 0.83 CYP4F2 (0.54) CYP4F2CYP4A11TSHRCA1CA2
SCHEMBL8729880 0.83 CYP4F2 (0.58) CYP4F2CYP4A11TSHRCA1CA2
SCHEMBL6311143 0.81 CYP4F2 (0.53) CYP4F2CYP4A11TSHRCA1CA2
SCHEMBL24718020 0.80 TSHR (0.50) CYP4F2CYP4A11TSHRCA1CA2
SCHEMBL7574285 0.80 ALDH1A1 (0.51) CYP4F2CYP4A11TSHRCA1CA2
SCHEMBL22853326 0.80 TSHR (0.59) CYP4F2CYP4A11TSHRCA1CA2
SCHEMBL30294691 0.80 TSHR (0.59) CYP4F2CYP4A11TSHRCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0609798-B1 4-Benzoyl isoxazoles and their use as herbicides AVENTIS AGRICULTURE LTD (GB) 2002-10-02 EP disclosed
EP-0625505-B1 2-Cyano-1,3-dione derivatives and their use as herbicides RHONE POULENC AGRICULTURE (GB) 1998-10-28 EP disclosed
CN-1100261-A Herbicides RHONE POULENC AGRICULTURE (GB) 1995-03-22 CN disclosed
US-5374606-A Pre- and postemergence RHONE-POULENC AGRICULTURE LIMITED (GB) 1994-12-20 US disclosed
EP-0625505-A2 2-Cyano-1,3-dione derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-11-23 EP disclosed
EP-0609798-A1 4-Benzoyl isoxazoles and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-08-10 EP disclosed