SCHEMBL8657388

SCHEMBL8657388

O=C(OC[C@H]1O[C@H](O)[C@H](OC(=O)c2ccccc2)[C@@H](O)[C@@H]1O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGALS9 O00182 1/20 0.50
LGALS1 P09382 1/20 0.50
LGALS3 P17931 1/20 0.50
LGALS7; LGALS7B P47929 1/20 0.50
POLB P06746 2/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 3/20 0.46
HTT P42858 1/20 0.43
PTPN1 P18031 2/20 0.43
TYMP P19971 1/20 0.43
MAPT P10636 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
SYNJ2 O15056 3/20 0.41

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
SCHEMBL8603059 0.92 LGALS9 (0.53) LGALS9LGALS1LGALS3LGALS7; LGALS7BPOLB
SCHEMBL23269817 0.92 LGALS9 (0.53) LGALS9LGALS1LGALS3LGALS7; LGALS7BPOLB
SCHEMBL27388397 0.92 LGALS9 (0.53) LGALS9LGALS1LGALS3LGALS7; LGALS7BPOLB
SCHEMBL10359946 0.89 LGALS9 (0.53) LGALS9LGALS1LGALS3LGALS7; LGALS7BPOLB
SCHEMBL10359947 0.89 LGALS9 (0.53) LGALS9LGALS1LGALS3LGALS7; LGALS7BPOLB
SCHEMBL5384438 0.89 USP2 (0.56) LGALS9LGALS1LGALS3LGALS7; LGALS7BPOLB
SCHEMBL15481991 0.89 USP2 (0.56) LGALS9LGALS1LGALS3LGALS7; LGALS7BPOLB
SCHEMBL8153332 0.89 USP2 (0.56) LGALS9LGALS1LGALS3LGALS7; LGALS7BPOLB
SCHEMBL13146097 0.89 USP2 (0.56) LGALS9LGALS1LGALS3LGALS7; LGALS7BPOLB
SCHEMBL8153327 0.89 USP2 (0.56) LGALS9LGALS1LGALS3LGALS7; LGALS7BPOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0739333-B1 SELECTIVE ASYMMETRIC HYDROGENATION OF DEHYDROAMINO ACID DERIVATIVES USING RHODIUM AND IRIDIUM DIPHOSPHINITE CARBOHYDRATE CATALYST COMPOSITIONS DU PONT (US) 1998-10-14 EP disclosed
US-5481006-A PREPARATION OF INTERMEDIATES FOR PHARMACEUTICALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-01-02 US disclosed