SCHEMBL6183936

SCHEMBL6183936

CSc1ccc(C(=O)c2cnoc2C2CC2)c2c1OC(F)(F)O2

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
EPHX2 P34913 2/20 0.33
AR P10275 1/20 0.32
NAMPT P43490 1/20 0.31
PDE2A O00408 1/20 0.31
CRACR2A Q9BSW2 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
SCHEMBL6181368 0.83 DHODH (0.34) DHODHEPHX2NAMPTPDE2A
SCHEMBL6180761 0.83 DHODH (0.35) DHODHEPHX2NAMPTPDE2ACRACR2A
SCHEMBL9069970 0.79 DHODH (0.36) DHODHALDH1A1HPGDCASP3RAB9A
SCHEMBL6182230 0.79 DHODH (0.37) DHODHEPHX2NAMPT
SCHEMBL9278973 0.78
SCHEMBL8311110 0.78 ALDH1A1 (0.33) DHODHALDH1A1HPGDCASP3RAB9A
SCHEMBL8307248 0.78 ALDH1A1 (0.33) DHODHALDH1A1HPGDCASP3RAB9A
SCHEMBL8489274 0.77 DHODH (0.35) DHODHALDH1A1HPGDCASP3RAB9A
SCHEMBL8888473 0.77 DHODH (0.36) DHODHALDH1A1HPGDCASP3RAB9A
SCHEMBL8391520 0.77 DHODH (0.40) DHODHALDH1A1HPGDCASP3RAB9A

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-1160244-B1 Isoxazole derivatives and their use as herbicides BAYER AGRICULTURE LTD (GB) 2005-10-19 EP claimed
EP-1160244-A1 Isoxazole derivatives and their use as herbicides RHONE-POULENC AGRICULTURE LIMITED (GB) 2001-12-05 EP claimed
US-5489570-A PRE- OR POST-EMERGENCE RHONE-POULENC AGRICULTURE LIMITED (GB) 1996-02-06 US claimed
EP-0636622-A1 Isoxazole derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1995-02-01 EP claimed
EP-1160244-B1 Isoxazole derivatives and their use as herbicides BAYER AGRICULTURE LTD (GB) 2005-10-19 EP disclosed
EP-0636622-B1 Isoxazole derivatives and their use as herbicides AVENTIS AGRICULTURE LTD (GB) 2002-10-23 EP disclosed
EP-1160244-A1 Isoxazole derivatives and their use as herbicides RHONE-POULENC AGRICULTURE LIMITED (GB) 2001-12-05 EP disclosed
US-5489570-A PRE- OR POST-EMERGENCE RHONE-POULENC AGRICULTURE LIMITED (GB) 1996-02-06 US disclosed
EP-0636622-A1 Isoxazole derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1995-02-01 EP disclosed