SCHEMBL8891972

SCHEMBL8891972

COCc1ccccc1Cc1cc([S+](C)[O-])ccc1C(=O)c1cnoc1C1CC1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.35
MGLL Q99685 1/20 0.32
EPHX2 P34913 1/20 0.31
NAMPT P43490 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
SCHEMBL8892076 0.88 KDM4E (0.34) EPHX2NAMPT
SCHEMBL8890580 0.87 HSP90AA1 (0.33) NAMPT
SCHEMBL8890374 0.86 CCR5 (0.36) EPHX2NAMPT
SCHEMBL8892281 0.85 HCRTR2 (0.36) HCRTR2MGLL
SCHEMBL8898866 0.85 SLC6A2 (0.35) EPHX2
SCHEMBL8893007 0.84 HPGD (0.36) HCRTR2MGLL
SCHEMBL8488431 0.83 DHODH (0.34) EPHX2NAMPT
SCHEMBL8899642 0.82 PDE2A (0.33) EPHX2NAMPT
SCHEMBL8889606 0.81 TSHR (0.34) EPHX2NAMPT
SCHEMBL8889996 0.81 SLC6A2 (0.32) EPHX2NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997028136-A1 BENZOYLISOXAZOLES AND 2-CYANO-1,3-DIONE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-07 WO disclosed