SCHEMBL7544031

SCHEMBL7544031

OC1(Cl)O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 2/20 0.44
▸ ACHE P22303 2/20 0.44
▸ HTR1A P08908 1/20 0.42
▸ NT5E P21589 1/20 0.42
▸ TACR2 P21452 3/20 0.40
▸ PTPN1 P18031 7/20 0.40
▸ CDC25B P30305 6/20 0.40
▸ SSTR1 P30872 1/20 0.38
▸ SSTR2 P30874 1/20 0.38
▸ SSTR4 P31391 1/20 0.38
▸ SSTR3 P32745 1/20 0.38
▸ SSTR5 P35346 1/20 0.38
▸ PTPN2 P17706 3/20 0.38
▸ PTPN11 Q06124 3/20 0.38
▸ PTPN6 P29350 2/20 0.38
▸ PDPK1 O15530 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ GJB2 P29033 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
SCHEMBL7908255 1.00 BCHE (0.44) BCHEACHEHTR1ANT5ETACR2
SCHEMBL7545172 1.00 BCHE (0.44) BCHEACHEHTR1ANT5ETACR2
SCHEMBL6428124 1.00 BCHE (0.44) BCHEACHEHTR1ANT5ETACR2
SCHEMBL7541321 1.00 BCHE (0.44) BCHEACHEHTR1ANT5ETACR2
SCHEMBL6428120 1.00 BCHE (0.44) BCHEACHEHTR1ANT5ETACR2
SCHEMBL7616207 1.00 BCHE (0.44) BCHEACHEHTR1ANT5ETACR2
SCHEMBL9386370 0.96 BCHE (0.45) BCHEACHEHTR1ANT5ETACR2
SCHEMBL8596282 0.96 BCHE (0.45) BCHEACHEHTR1ANT5ETACR2
SCHEMBL7440204 0.87 NT5E (0.47) BCHEACHEHTR1ANT5ETACR2
SCHEMBL7770786 0.84 HTR1A (0.42) BCHEACHEHTR1ANT5ETACR2

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
WO-2002048163-A2 PROCESSES FOR THE PREPARATION OF αGAL(1→4)βGAL(1→4)GLC-OR TRISACCHARIDES SYNSORB BIOTECH, INC. (CA) 2002-06-20 — — WO disclosed
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