SCHEMBL7573673

SCHEMBL7573673

CCC[S+]([O-])Cc1cc(Br)ccc1C(=O)c1cnoc1C1CC1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.32
DHODH Q02127 3/20 0.32
MAPK1 P28482 1/20 0.31
NAMPT P43490 1/20 0.31
EPHX2 P34913 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
SCHEMBL7575072 0.93 NAMPT (0.33) PDE2ADHODHMAPK1NAMPTEPHX2
SCHEMBL7575471 0.88 DHODH (0.33) PDE2ADHODHMAPK1NAMPTEPHX2
SCHEMBL7576396 0.86 DHODH (0.31) DHODH
SCHEMBL27287091 0.85 DHODH (0.34) PDE2ADHODHNAMPTEPHX2
SCHEMBL27298864 0.84 DHODH (0.32) PDE2ADHODHNAMPTEPHX2
SCHEMBL7573406 0.84 PDE2A (0.33) PDE2ADHODH
SCHEMBL7573404 0.84 PDE2A (0.33) PDE2ADHODH
SCHEMBL7574312 0.81 DHODH (0.32) PDE2ADHODHMAPK1EPHX2
SCHEMBL7574237 0.81 DHODH (0.33) PDE2ADHODHMAPK1
SCHEMBL7575613 0.81 DHODH (0.33) PDE2ADHODHMAPK1

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 8 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
CN-1039229-C Herbicides PHONE POULENC AGRICULTURE LTD (GB) 1998-07-22 CN claimed
CN-1091739-A Weedicide PHONE POULENC AGRICULTURE LIMI (GB) 1994-09-07 CN 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
CN-1039229-C Herbicides PHONE POULENC AGRICULTURE LTD (GB) 1998-07-22 CN 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