SCHEMBL9638558

SCHEMBL9638558

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

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL9638528 0.80
SCHEMBL9639801 0.75 KMT2A (0.37) LMNAPOLB
SCHEMBL9639841 0.75 CAPN1 (0.34) POLB
SCHEMBL9639039 0.74 ALDH1A1 (0.30) POLB
SCHEMBL9639879 0.74 KDM4E (0.31)
SCHEMBL9638683 0.72 GAA (0.36) LMNASMN1; SMN2POLB
SCHEMBL6535681 0.70 EPHX1 (0.31)
SCHEMBL9638607 0.69 ALDH1A1 (0.31)
SCHEMBL9638540 0.69 KMT2A (0.50) LMNASMN1; SMN2POLB
SCHEMBL25101250 0.68 DPP4 (0.33) DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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