SCHEMBL3399096

SCHEMBL3399096

COc1ccc(-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 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
ADORA2A P29274 1/20 0.34
KCNH2 Q12809 1/20 0.34
PIK3CA P42336 2/20 0.33
MTOR P42345 2/20 0.33
CYP11B1 P15538 1/20 0.33
NAAA Q02083 1/20 0.33
CYP2A6 P11509 2/20 0.33
HPGD P15428 1/20 0.32
PIK3CG P48736 1/20 0.32
CYP19A1 P11511 1/20 0.32
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
FYN P06241 1/20 0.32
CHRNA7 P36544 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32

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
SCHEMBL314247 1.00 DGAT1 (0.35) DGAT1MKNK1MKNK2RXFP1ADORA2A
SCHEMBL5275422 0.91 RXFP1 (0.44) RXFP1PIK3CAMTORNAAAGABRA1
SCHEMBL2138931 0.91 RXFP1 (0.44) RXFP1PIK3CAMTORNAAAGABRA1
SCHEMBL315127 0.89 RXFP1 (0.33) RXFP1PIK3CAMTORNAAAGABRA1
SCHEMBL3401231 0.89 RXFP1 (0.33) RXFP1PIK3CAMTORNAAAGABRA1
SCHEMBL3399328 0.88 CHRNA7 (0.35) DGAT1RXFP1PIK3CAMTORNAAA
SCHEMBL314941 0.88 CHRNA7 (0.35) DGAT1RXFP1PIK3CAMTORNAAA
SCHEMBL315460 0.87 CHRNA7 (0.32) RXFP1CYP2A6CHRNA7
SCHEMBL3398167 0.87 NAAA (0.33) DGAT1RXFP1NAAACHRNA7
SCHEMBL315023 0.87 NAAA (0.33) DGAT1RXFP1NAAACHRNA7

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