SCHEMBL8109917

SCHEMBL8109917

CSc1cc(C(F)(F)F)ccc1C#CC(=O)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
CCR2 P41597 2/20 0.33
SLC6A9 P48067 1/20 0.33
MAPK1 P28482 1/20 0.33
DHODH Q02127 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
DDR1 Q08345 1/20 0.32
LIPC P11150 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
ABL1 P00519 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
SCHEMBL8101114 0.74 ALDH1A1 (0.34) SLC6A9CA1CA2DDR1
SCHEMBL29391001 0.72 SLC6A9 (0.41) KMT2AMEN1TSHRCCR2SLC6A9
SCHEMBL6751338 0.72 SLC6A9 (0.41) KMT2AMEN1TSHRCCR2SLC6A9
SCHEMBL7113444 0.71 AR (0.47)
SCHEMBL8108748 0.69 HPGD (0.41) KMT2AMEN1TSHR
SCHEMBL28813587 0.68 LIPG (0.43) SLC6A9LIPCLIPG
SCHEMBL8630198 0.68 SLC6A9 (0.38) CCR2SLC6A9
SCHEMBL8630195 0.68 SLC6A9 (0.38) CCR2SLC6A9
SCHEMBL28095379 0.67 CES2 (0.49) KMT2AMEN1SLC6A9DDR1
SCHEMBL8886678 0.66 GAA (0.40) KMT2AMEN1TSHRCCR2SLC6A9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0524018-B1 Isoxazole herbicides RHONE POULENC AGRICULTURE (GB) 2000-10-18 EP disclosed
US-5424276-A Herbicidal 4-acyl-5-pyridylisoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1995-06-13 US disclosed
US-5366957-A Plant growth regulators RHONE-POULENC ARGRICULTURE LTD (GB) 1994-11-22 US disclosed
EP-0524018-A1 Isoxazole herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1993-01-20 EP disclosed