SCHEMBL6184518

SCHEMBL6184518

CCOC=C(C(=O)c1ccc2scc(OC)c2c1OC)C(=O)C1CC1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.32
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
MAPT P10636 2/20 0.30
GAA P10253 1/20 0.30
MEN1 O00255 1/20 0.30
PLIN1 O60240 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
PLIN5 Q00G26 1/20 0.30
KMT2A Q03164 1/20 0.30
ABHD5 Q8WTS1 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
SCHEMBL6184513 1.00 STK17B (0.32) STK17BMTNR1AMTNR1BMAPTGAA
SCHEMBL7476422 0.89 STK17B (0.31) STK17BMTNR1AMTNR1B
SCHEMBL7476429 0.89 STK17B (0.31) STK17BMTNR1AMTNR1B
SCHEMBL7475090 0.81 MAPT (0.32) MAPTMEN1PLIN1LMNAPLIN5
SCHEMBL7475097 0.81 MAPT (0.32) MAPTMEN1PLIN1LMNAPLIN5
SCHEMBL9242363 0.81 ABCG2 (0.32) MAPTPOLB
SCHEMBL9242367 0.81 ABCG2 (0.32) MAPTPOLB
SCHEMBL7467609 0.80
SCHEMBL9241633 0.77 MAPT (0.31) MAPTGAA
SCHEMBL9241624 0.77 MAPT (0.31) MAPTGAA

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-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