SCHEMBL6183845

SCHEMBL6183845

CSc1c(C(=O)C(C(=O)OC(C)(C)C)C(=O)C2CC2)ccc2c1OCO2

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.35
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL6183370 0.92
SCHEMBL6183964 0.86 EDNRA (0.37) EDNRANPC1RAB9ASMN1; SMN2
SCHEMBL9079156 0.84 AOC3 (0.35) EDNRA
SCHEMBL6182679 0.83 SYK (0.30)
SCHEMBL9118267 0.83 EDNRA (0.37) EDNRA
SCHEMBL6185334 0.81 EDNRA (0.33) EDNRA
SCHEMBL9239343 0.78 HPGD (0.32) NPC1POLBMAPTNFKB1RAB9A
SCHEMBL6441376 0.76
SCHEMBL9118511 0.76 EDNRA (0.45) EDNRANPC1POLBNFKB1RAB9A
SCHEMBL9195406 0.74 HPGD (0.37) NPC1MAPTNFKB1RAB9ANFKB2

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
EP-1160244-B1 Isoxazole derivatives and their use as herbicides BAYER AGRICULTURE LTD (GB) 2005-10-19 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
WO-1995025099-A1 2-CYANO-1,3-DIONE DERIVATIVES USEFUL AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1995-09-21 WO disclosed
EP-0636622-A1 Isoxazole derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1995-02-01 EP disclosed