SCHEMBL7300432

SCHEMBL7300432

CC(=O)NC(C)(C(=O)C(F)(F)F)C(C)C

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
PIK3CD O00329 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
SCHEMBL9159698 0.76 ALDH1A1 (0.33) ALDH1A1PIK3CD
SCHEMBL9333241 0.74 CNR2 (0.33) ALDH1A1PIK3CD
SCHEMBL11686016 0.74 PIK3CD (0.32) PIK3CD
SCHEMBL11683699 0.72 EPHX1 (0.39) ALDH1A1PIK3CD
SCHEMBL11686026 0.72 EPHX1 (0.39) ALDH1A1PIK3CD
SCHEMBL7310880 0.69 PIK3CD (0.31) PIK3CD
SCHEMBL12267723 0.67 PIK3CD (0.37) PIK3CD
SCHEMBL8435450 0.67 PIK3CD (0.52) PIK3CD
SCHEMBL24965898 0.67 CA2 (0.36) ALDH1A1PIK3CD
SCHEMBL27028717 0.67 CA2 (0.36) ALDH1A1PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0509769-B1 Heterocyclic amides having HLE inhibiting activity ZENECA LTD (GB) 1996-09-11 EP disclosed