SCHEMBL9639879

SCHEMBL9639879

CC(=O)C(C#N)C(=O)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL6535681 0.78 EPHX1 (0.31)
SCHEMBL9638528 0.78
SCHEMBL9638607 0.78 ALDH1A1 (0.31) ALDH1A1
SCHEMBL8034630 0.75
SCHEMBL9638558 0.74 DPP4 (0.33)
SCHEMBL12268287 0.73
SCHEMBL9639841 0.72 CAPN1 (0.34)
SCHEMBL9639801 0.72 KMT2A (0.37) KDM4EALDH1A1
SCHEMBL9639039 0.71 ALDH1A1 (0.30) KDM4EALDH1A1
SCHEMBL9638683 0.70 GAA (0.36) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642509-B2 Herbicidal compositions AVENTIS CROPSCIENCE UK LIMITED (GB) 2014-02-04 US disclosed
US-8642509-B2 Herbicidal compositions AVENTIS CROPSCIENCE UK LIMITED (GB) 2014-02-04 US disclosed
EP-2545774-A1 Aqueous HPPD inhibitor suspension concentrate compositions comprising smectite clay Cheminova A/S (DK) 2013-01-16 EP disclosed
EP-0326107-B1 ANTIARTHRITIC BETA-CYCLOALKYL-BETA-OXOPROPIONITRILES Bristol-Myers Squibb Company (US) 1992-09-02 EP disclosed
US-4888357-A ANTIINFLAMMATORY AGENTS BRISTOL-MYERS COMPANY (US) 1989-12-19 US disclosed
EP-0326107-A1 Antiarthritic beta-cycloalkyl-beta-oxopropionitriles Bristol-Myers Squibb Company (US) 1989-08-02 EP disclosed