SCHEMBL7352571

SCHEMBL7352571

C[C@H](O)[C@H](O)C[C@@H](O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
TET2 Q6N021 5/20 0.39
KDM4A O75164 2/20 0.39
KDM4C Q9H3R0 2/20 0.39
KDM2A Q9Y2K7 2/20 0.39
TET3 O43151 1/20 0.39
GPR84 Q9NQS5 3/20 0.38
FFAR1 O14842 1/20 0.38
RNPEP Q9H4A4 1/20 0.37
SLC7A5 Q01650 1/20 0.37

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
SCHEMBL15841419 1.00 OR51E2 (0.43) OR51E2TP53SMN1; SMN2TET2KDM4A
SCHEMBL16600433 0.85 OR51E2 (0.40) OR51E2TP53SMN1; SMN2TET2KDM4A
SCHEMBL28410668 0.84 OR51E2 (0.43) OR51E2TP53SMN1; SMN2TET2KDM4A
SCHEMBL3692471 0.83 OR51E2 (0.39) OR51E2TP53SMN1; SMN2TET2KDM4A
SCHEMBL9356193 0.80 TP53 (0.40) OR51E2TP53SMN1; SMN2TET2KDM4A
SCHEMBL185354 0.78
SCHEMBL361589 0.78
SCHEMBL1336542 0.78
SCHEMBL28482603 0.78 OR51E2 (0.48) OR51E2TP53SMN1; SMN2TET2KDM4A
SCHEMBL28172667 0.78

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
US-5783677-A FORMING INTERMEDIATES BY TREATING 6-DEOXY-A-L-MANNOPYRANOSYL BROMIDE AND 2,3,4-TRI-O-BENZOATE WITH DIMETHYLSULFOXIDE, A BASE, AND A SOLVENT PROCTER & GAMBLE PHARMACEUTICALS, INC. 1998-07-21 US disclosed
US-5721217-A 14-AMINOANDROSTANE COMPOUNDS AS INOTROPIC AGENT TREATING CONGESTIVE HEART FAILURE THE PROCTER & GAMBLE COMPANY (US) 1998-02-24 US disclosed
EP-0720616-A1 NOVEL DEOXY AND OXYGEN-SUBSTITUTED SUGAR-CONTAINING 14-AMINOSTEROID COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1996-07-10 EP disclosed
WO-1995008558-A1 NOVEL DEOXY AND OXYGEN-SUBSTITUTED SUGAR-CONTAINING 14-AMINOSTEROID COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1995-03-30 WO disclosed