SCHEMBL7573022

SCHEMBL7573022

CC(C)SCc1cc(Br)ccc1C(=O)c1cnoc1C1CC1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.32
PDE2A O00408 1/20 0.31
EPHX2 P34913 1/20 0.30
POLB P06746 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
SCHEMBL9116675 0.91 DHODH (0.31) DHODH
SCHEMBL6558596 0.88 DHODH (0.34) DHODHPDE2APOLB
SCHEMBL9116177 0.88 DHODH (0.31) DHODHPDE2A
SCHEMBL7574237 0.86 DHODH (0.33) DHODHPDE2APOLB
SCHEMBL9117395 0.86 DHODH (0.34) DHODHPDE2AEPHX2POLB
SCHEMBL7573788 0.85 DHODH (0.34) DHODHPDE2AEPHX2POLB
SCHEMBL7574312 0.84 DHODH (0.32) DHODHPDE2AEPHX2POLB
SCHEMBL7575637 0.83 DHODH (0.39) DHODHEPHX2POLB
SCHEMBL9117383 0.82 DHODH (0.33) DHODH
SCHEMBL7573217 0.82 DHODH (0.32) DHODHPDE2A

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 5 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 claimed
EP-0609798-A1 4-Benzoyl isoxazoles and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-08-10 EP claimed
EP-0609798-B1 4-Benzoyl isoxazoles and their use as herbicides AVENTIS AGRICULTURE LTD (GB) 2002-10-02 EP disclosed
US-5374606-A Pre- and postemergence RHONE-POULENC AGRICULTURE LIMITED (GB) 1994-12-20 US disclosed
EP-0609798-A1 4-Benzoyl isoxazoles and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-08-10 EP disclosed