SCHEMBL7574723

SCHEMBL7574723

C[S+]([O-])Cc1cc(C(F)(F)F)ccc1C(=O)c1cnoc1C1CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.46
PTGDR2 Q9Y5Y4 7/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36
GMNN O75496 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HTR1A P08908 1/20 0.36
THRB P10828 1/20 0.36
PIM1 P11309 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAOA P21397 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2A P28223 1/20 0.36
AGTR1 P30556 1/20 0.36
CCKBR P32239 1/20 0.36
MC4R P32245 1/20 0.36

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
SCHEMBL18053852 0.88 DHODH (0.50) DHODHPTGDR2MEN1KMT2ANPC1
SCHEMBL27285278 0.87 DHODH (0.35) DHODHPTGDR2LMNAHTTSMN1; SMN2
SCHEMBL27392041 0.86 DHODH (0.34) DHODHEPHX2PDE2A
SCHEMBL27295039 0.85 DHODH (0.33) DHODHEPHX2PDE2A
SCHEMBL8491851 0.85 DHODH (0.47) DHODHPTGDR2MEN1KMT2ANPC1
SCHEMBL7575471 0.85 DHODH (0.33) DHODHEPHX2PDE2A
SCHEMBL7575311 0.85 DHODH (0.33) DHODHPTGDR2NPC1LMNAHTT
SCHEMBL9116698 0.85 DHODH (0.48) DHODHCYP3A4CYP2C9CYP2C19EPHX2
SCHEMBL7573020 0.84 DHODH (0.47) DHODHPTGDR2MEN1KMT2ANPC1
SCHEMBL7575001 0.83 DHODH (0.35) DHODHNPC1LMNARAB9ASMN1; SMN2

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 9 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
CN-1091739-A Weedicide PHONE POULENC AGRICULTURE LIMI (GB) 1994-09-07 CN disclosed
EP-0609798-A1 4-Benzoyl isoxazoles and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-08-10 EP disclosed