SCHEMBL9400697

SCHEMBL9400697

C=C(C(=O)O)N(Cl)C(=O)CC

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.35

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
SCHEMBL11863364 0.79 ALDH1A1 (0.39) FFAR3
SCHEMBL27461948 0.68
SCHEMBL28114754 0.67 FFAR3 (0.33) FFAR3
SCHEMBL322854 0.67 LMNA (0.40) FFAR3
SCHEMBL16937304 0.66
Methacrylic Acid SCHEMBL11696085 0.65 ALDH1A1 (0.38) FFAR3
Chloromethane SCHEMBL7131444 0.64
SCHEMBL28821324 0.64
Chloromethane SCHEMBL8972580 0.64 ALDH1A1 (0.40)
SCHEMBL3278086 0.63 CA12 (0.46) FFAR3

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
US-5286893-A Enzyme inhibitors for mixing with thienamycin(and derivatives) to prevent hydrolysis BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 1994-02-15 US claimed