SCHEMBL3401231

SCHEMBL3401231

COc1ncc(-c2ccc(O[C@H]3SC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)cn2)cn1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.33
PIK3CA P42336 3/20 0.33
MTOR P42345 3/20 0.33
NAAA Q02083 1/20 0.32
GABRA1 P14867 2/20 0.30
GABRB2 P47870 2/20 0.30
CHRNA7 P36544 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30

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
SCHEMBL315127 1.00 RXFP1 (0.33) RXFP1PIK3CAMTORNAAAGABRA1
SCHEMBL5275422 0.90 RXFP1 (0.44) RXFP1PIK3CAMTORNAAAGABRA1
SCHEMBL2138931 0.90 RXFP1 (0.44) RXFP1PIK3CAMTORNAAAGABRA1
SCHEMBL314247 0.89 DGAT1 (0.35) RXFP1PIK3CAMTORNAAAGABRA1
SCHEMBL3399096 0.89 DGAT1 (0.35) RXFP1PIK3CAMTORNAAAGABRA1
SCHEMBL314637 0.89 CHRNA7 (0.32) RXFP1CHRNA7CYP4F2CYP4A11
SCHEMBL314638 0.89 CHRNA7 (0.32) RXFP1CHRNA7CYP4F2CYP4A11
SCHEMBL314941 0.87 CHRNA7 (0.35) RXFP1PIK3CAMTORNAAACHRNA7
SCHEMBL3399328 0.87 CHRNA7 (0.35) RXFP1PIK3CAMTORNAAACHRNA7
SCHEMBL315460 0.86 CHRNA7 (0.32) RXFP1CHRNA7CYP4F2CYP4A11

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-2066683-B1 DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT FOURNIER LAB SA (FR) 2010-11-03 EP disclosed