SCHEMBL8606503

SCHEMBL8606503

CCS(=O)(=O)c1ccc(C(=O)C(C#N)C(=O)C2CC2)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
ALDH1A1 P00352 1/20 0.38
THRB P10828 5/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.34
MAPT P10636 1/20 0.34
CTSC P53634 2/20 0.33
RORC P51449 3/20 0.33

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
SCHEMBL6557980 0.88 LMNA (0.41) ALDH1A1MAPT
SCHEMBL8608435 0.78 GAA (0.31)
SCHEMBL8607601 0.78 HPGD (0.40) ALDH1A1MAPTCTSC
SCHEMBL8609001 0.76 TSHR (0.37) POLBALDH1A1MAPT
SCHEMBL8606555 0.76 LMNA (0.43) ALDH1A1MAPT
SCHEMBL8195622 0.75 ALDH1A1 (0.35) POLBALDH1A1MAPT
SCHEMBL8608727 0.74 NR1I2 (0.39) CTSC
SCHEMBL8609476 0.74 DPP4 (0.36) CTSC
SCHEMBL29355315 0.74 F10 (0.37) ALDH1A1
SCHEMBL8606438 0.74 SLC6A2 (0.32)

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-0496630-B1 2-Cyano-1,3-dione herbicides RHONE POULENC AGRICULTURE (GB) 1995-06-07 EP claimed
EP-0496630-A1 2-Cyano-1,3-dione herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1992-07-29 EP claimed
US-5804532-A REACTING A BENZOYL ISOXAZOLE WITH A BASE RHONE-POULENC AGRICULTURE LIMITED (GB) 1998-09-08 US disclosed
EP-0496630-A1 2-Cyano-1,3-dione herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1992-07-29 EP disclosed