SCHEMBL8891081

SCHEMBL8891081

O=C(c1ccccc1Cc1ccccc1C(F)(F)F)c1cnoc1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.41
SLC6A2 P23975 10/20 0.39
SLC6A4 P31645 10/20 0.39
ATM Q13315 1/20 0.37
NR1H4 Q96RI1 2/20 0.36
CTNNB1 P35222 1/20 0.35
WNT3A P56704 1/20 0.35
EPHX2 P34913 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL8891649 0.90 SLC6A2 (0.37) DHODHSLC6A2SLC6A4ATMEPHX2
SCHEMBL8893368 0.88 DHODH (0.36) DHODHSLC6A2SLC6A4NR1H4EPHX2
SCHEMBL8891645 0.87 SLC6A2 (0.36) DHODHSLC6A2SLC6A4EPHX2SLC6A3
SCHEMBL8488832 0.87 DHODH (0.46) DHODHSLC6A2SLC6A4CTNNB1WNT3A
SCHEMBL8891589 0.86 DHODH (0.35) DHODHSLC6A2SLC6A4NR1H4
SCHEMBL8890289 0.86 NR1H2 (0.38) DHODHSLC6A2SLC6A4SLC6A3
SCHEMBL8898866 0.86 SLC6A2 (0.35) DHODHSLC6A2SLC6A4EPHX2SLC6A3
SCHEMBL8891781 0.85 DHODH (0.36) DHODHSLC6A2SLC6A4SLC6A3
SCHEMBL8889700 0.84 TSHR (0.42) DHODH
SCHEMBL8892991 0.84 NPC1 (0.38) DHODH

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