SCHEMBL19486237

SCHEMBL19486237

CC#CC(CC(=O)O)c1ccc(COc2ccc3scc(-c4ccc(OCC5CC[S+]([O-])CC5)cc4C)c3c2)cc1

nearest known ligand 0.81

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 20/20 0.81

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
SCHEMBL19486689 0.96 FFAR1 (0.81) FFAR1
SCHEMBL19486379 0.91 FFAR1 (0.83) FFAR1
SCHEMBL17669509 0.89 FFAR1 (1.00) FFAR1
SCHEMBL17669641 0.89 FFAR1 (0.89) FFAR1
SCHEMBL17669643 0.89 FFAR1 (1.00) FFAR1
SCHEMBL19462654 0.87 FFAR1 (0.78) FFAR1
SCHEMBL17669406 0.86 FFAR1 (0.89) FFAR1
SCHEMBL17669405 0.86 FFAR1 (1.00) FFAR1
SCHEMBL19486625 0.85 FFAR1 (0.82) FFAR1
SCHEMBL17669451 0.84 FFAR1 (0.90) FFAR1

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
WO-2017180457-A1 GPR40 AGONISTS IN ANTI-DIABETIC DRUG COMBINATIONS JANSSEN PHARMACEUTICA NV (BE) 2017-10-19 WO disclosed