SCHEMBL13564151

SCHEMBL13564151

BCc1cccc(-c2c(C)cc(OCCCS(C)(=O)=O)nc2C)c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 20/20 0.48
GNA15 P30679 1/20 0.40
SLC10A1 Q14973 1/20 0.40
ABCC2 Q92887 1/20 0.40
SLCO1B3 Q9NPD5 1/20 0.40
SLCO1B1 Q9Y6L6 1/20 0.40

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
SCHEMBL9964504 0.89 FFAR1 (0.48) FFAR1GNA15SLC10A1ABCC2SLCO1B3
SCHEMBL9964502 0.89 FFAR1 (0.50) FFAR1GNA15SLC10A1ABCC2SLCO1B3
SCHEMBL28818236 0.87 FFAR1 (0.46) FFAR1
SCHEMBL9934971 0.85 FFAR1 (0.46) FFAR1GNA15SLC10A1ABCC2SLCO1B3
SCHEMBL18963606 0.84 FFAR1 (0.55) FFAR1GNA15SLC10A1ABCC2SLCO1B3
SCHEMBL28818237 0.81 FFAR1 (0.42) FFAR1
SCHEMBL9934932 0.78 FFAR1 (0.58) FFAR1GNA15SLC10A1ABCC2SLCO1B3
SCHEMBL13506915 0.77 FFAR1 (0.62) FFAR1GNA15SLC10A1ABCC2SLCO1B3
SCHEMBL22474718 0.77 FFAR1 (0.65) FFAR1GNA15SLC10A1ABCC2SLCO1B3
SCHEMBL18959409 0.77 FFAR1 (0.56) FFAR1GNA15SLC10A1ABCC2SLCO1B3

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-2518060-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-10-31 EP disclosed