SCHEMBL8747745

SCHEMBL8747745

CN(Cc1cc(C(F)(F)F)ccc1C(=O)c1cnoc1C1CC1)S(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.43
PTGDR2 Q9Y5Y4 9/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HTR1A P08908 1/20 0.34
THRB P10828 1/20 0.34
PIM1 P11309 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAOA P21397 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2A P28223 1/20 0.34
AGTR1 P30556 1/20 0.34
CCKBR P32239 1/20 0.34
MC4R P32245 1/20 0.34

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
SCHEMBL8747750 0.88 DPP4 (0.35) DHODHPTGDR2CYP1A2TRPV1
SCHEMBL7576300 0.87 DHODH (0.46) DHODHPTGDR2MEN1KMT2ANPC1
SCHEMBL8747841 0.86 PDE2A (0.32) DHODHMEN1KMT2ACYP1A2TRPV1
SCHEMBL8748151 0.86 F2 (0.34) DHODHPTGDR2TP53CYP1A2SMN1; SMN2
SCHEMBL8747888 0.85 KDM4E (0.37) DHODHCYP1A2SLC6A2SLC6A3
SCHEMBL18053852 0.85 DHODH (0.50) DHODHPTGDR2MEN1KMT2ANPC1
SCHEMBL7552737 0.84 DHODH (0.45) DHODHPTGDR2MEN1KMT2ANPC1
SCHEMBL7573020 0.81 DHODH (0.47) DHODHPTGDR2MEN1KMT2ANPC1
SCHEMBL7557220 0.81 DHODH (0.43) DHODHMEN1KMT2ANPC1GMNN
Isoxaflutole SCHEMBL21645075 0.81 DHODH (0.48) DHODHMEN1KMT2ANPC1GMNN

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
CN-1148385-A 4-benzoylisoxazole derivatives and their use as herbicides RHONE POULENC AGRICULTURE (GB) 1997-04-23 CN claimed
EP-0759911-A1 4-BENZOYLISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE LTD. (GB) 1997-03-05 EP claimed
WO-1995031446-A1 4-BENZOYLISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE LTD. (GB) 1995-11-23 WO claimed
EP-0759911-A1 4-BENZOYLISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE LTD. (GB) 1997-03-05 EP disclosed
WO-1995031446-A1 4-BENZOYLISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE LTD. (GB) 1995-11-23 WO disclosed