SCHEMBL16448792

SCHEMBL16448792

Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COS(C)(=O)=O)c1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 20/20 0.69
GNA15 P30679 1/20 0.56
SLC10A1 Q14973 1/20 0.56
ABCC2 Q92887 1/20 0.56
SLCO1B3 Q9NPD5 1/20 0.56
SLCO1B1 Q9Y6L6 1/20 0.56

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
SCHEMBL16448773 0.87 FFAR1 (0.67) FFAR1GNA15SLC10A1ABCC2SLCO1B3
SCHEMBL203930 0.86 FFAR1 (0.69) FFAR1GNA15SLC10A1ABCC2SLCO1B3
SCHEMBL1688252 0.86 FFAR1 (0.66) FFAR1GNA15SLC10A1ABCC2SLCO1B3
SCHEMBL16448783 0.86 FFAR1 (0.66) FFAR1GNA15SLC10A1ABCC2SLCO1B3
SCHEMBL15153514 0.85 FFAR1 (0.78) FFAR1GNA15SLC10A1ABCC2SLCO1B3
SCHEMBL27962432 0.84 FFAR1 (0.63) FFAR1GNA15SLC10A1ABCC2SLCO1B3
SCHEMBL16523399 0.83 FFAR1 (0.65) FFAR1GNA15SLC10A1ABCC2SLCO1B3
SCHEMBL10058614 0.83 FFAR1 (0.74) FFAR1GNA15SLC10A1ABCC2SLCO1B3
SCHEMBL15494695 0.81 FFAR1 (0.77) FFAR1GNA15SLC10A1ABCC2SLCO1B3
SCHEMBL30441627 0.81 FFAR1 (0.61) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110088089-B Benzyl amino pyridyl cyclopropane carboxylic acid, pharmaceutical composition and application thereof 勃林格殷格翰国际有限公司 2023-08-29 CN disclosed
CN-110177773-B Benzyl aminopyridine cyclopropanecarboxylic acid, pharmaceutical composition and application thereof 勃林格殷格翰国际有限公司 2023-08-25 CN disclosed
US-8952185-B2 Production method of optically active dihydrobenzofuran derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-10 US disclosed
US-8952185-B2 Production method of optically active dihydrobenzofuran derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-10 US disclosed