SCHEMBL8492736

SCHEMBL8492736

CCN(CC)C(=CC(=O)c1ccc(C(F)(F)F)cc1SC)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 16/20 0.36
SLC6A9 P48067 1/20 0.36
GAA P10253 1/20 0.36
CCR2 P41597 1/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL8763685 1.00 PTGDR2 (0.36) PTGDR2SLC6A9GAACCR2USP2
SCHEMBL8886678 0.88 GAA (0.40) SLC6A9GAACCR2USP2
SCHEMBL8489355 0.81 HPD (0.50)
SCHEMBL8489357 0.81 HPD (0.50)
SCHEMBL8630198 0.74 SLC6A9 (0.38) SLC6A9GAACCR2USP2
SCHEMBL8630195 0.74 SLC6A9 (0.38) SLC6A9GAACCR2USP2
SCHEMBL29391001 0.73 SLC6A9 (0.41) SLC6A9CCR2
SCHEMBL6751338 0.73 SLC6A9 (0.41) SLC6A9CCR2
SCHEMBL28813587 0.70 LIPG (0.43) SLC6A9USP2
SCHEMBL28003410 0.70 SLC6A9 (0.35) SLC6A9CCR2USP2

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
US-5859283-A TERTIARY-BUTYL 3-CYCLOALKYL-3-OXOPROPIONATE RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-12 US disclosed
US-5747424-A HEATING AN AROMATIC DIKETONE WITH A SALT OF HYDROXYLAMINE IN A SOLVENT RHONE-POULENC AGRICULTURE LTD. (GB) 1998-05-05 US disclosed
US-5656573-A Herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-12 US disclosed
EP-0487357-B1 4 Benzoyl isoxazole derivatives RHONE POULENC AGRICULTURE (GB) 1997-07-02 EP disclosed
EP-0487357-A1 4 Benzoyl isoxazole derivatives RHONE-POULENC AGRICULTURE LTD. (GB) 1992-05-27 EP disclosed