SCHEMBL8658236

SCHEMBL8658236

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 3/20 0.46
LGALS9 O00182 2/20 0.46
LGALS1 P09382 2/20 0.46
LGALS7; LGALS7B P47929 2/20 0.46
PTPN1 P18031 3/20 0.46
LGALS4 P56470 1/20 0.46
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
SYNJ2 O15056 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HTT P42858 1/20 0.43
SLC22A1 O15245 1/20 0.43
TYMP P19971 1/20 0.43
LGALS8 O00214 1/20 0.43
SELP P16109 2/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL1682180 0.93 LGALS3 (0.52) LGALS3LGALS9LGALS1LGALS7; LGALS7BPTPN1
SCHEMBL1521368 0.93 LGALS3 (0.52) LGALS3LGALS9LGALS1LGALS7; LGALS7BPTPN1
SCHEMBL12807943 0.93 LGALS3 (0.52) LGALS3LGALS9LGALS1LGALS7; LGALS7BPTPN1
SCHEMBL12595600 0.93 LGALS3 (0.52) LGALS3LGALS9LGALS1LGALS7; LGALS7BPTPN1
SCHEMBL9545439 0.93 LGALS3 (0.52) LGALS3LGALS9LGALS1LGALS7; LGALS7BPTPN1
SCHEMBL24192986 0.93 LGALS3 (0.52) LGALS3LGALS9LGALS1LGALS7; LGALS7BPTPN1
SCHEMBL19869143 0.93 LGALS3 (0.52) LGALS3LGALS9LGALS1LGALS7; LGALS7BPTPN1
SCHEMBL976416 0.93 PTPN1 (0.48) LGALS3LGALS9LGALS1LGALS7; LGALS7BPTPN1
SCHEMBL14413230 0.93 LGALS3 (0.52) LGALS3LGALS9LGALS1LGALS7; LGALS7BPTPN1
SCHEMBL1682156 0.93 LGALS3 (0.52) LGALS3LGALS9LGALS1LGALS7; LGALS7BPTPN1

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 5 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
EP-0739333-A1 SELECTIVE ASYMMETRIC HYDROGENATION OF DEHYDROAMINO ACID DERIVATIVES USING RHODIUM AND IRIDIUM DIPHOSPHINITE CARBOHYDRATE CATALYST COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-10-30 EP disclosed
US-5510507-A COORDINATION CATALYSTS; EFFICIENT ENANTIOSELECTIVITY E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-04-23 US disclosed
US-5481006-A PREPARATION OF INTERMEDIATES FOR PHARMACEUTICALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-01-02 US disclosed
WO-1995018787-A1 SELECTIVE ASYMMETRIC HYDROGENATION OF DEHYDROAMINO ACID DERIVATIVES USING RHODIUM AND IRIDIUM DIPHOSPHINITE CARBOHYDRATE CATALYST COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-07-13 WO disclosed