SCHEMBL16982718

SCHEMBL16982718

COc1ccc(C(OC[C@@H](NC(=O)CCCC[C@@H]2CCSS2)[C@@H](C)O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 8/20 0.46
▸ ACHE P22303 3/20 0.46
▸ PTPRF P10586 4/20 0.44
▸ PTPN2 P17706 4/20 0.44
▸ PTPN1 P18031 4/20 0.44
▸ PDE9A O76083 1/20 0.39

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
SCHEMBL16982822 1.00 BCHE (0.46) BCHEACHEPTPRFPTPN2PTPN1
SCHEMBL16949984 1.00 BCHE (0.46) BCHEACHEPTPRFPTPN2PTPN1
SCHEMBL16207692 0.92 BCHE (0.47) BCHEACHEPTPRFPTPN2PTPN1
SCHEMBL17583803 0.92 BCHE (0.47) BCHEACHEPTPRFPTPN2PTPN1
SCHEMBL17583806 0.92 BCHE (0.47) BCHEACHEPTPRFPTPN2PTPN1
SCHEMBL20371134 0.82 GAA (0.45) —
SCHEMBL3839548 0.81 GAA (0.43) —
SCHEMBL5964225 0.81 GAA (0.43) —
SCHEMBL15709627 0.80 BCHE (0.50) BCHEACHEPTPRFPTPN2PTPN1
SCHEMBL20371135 0.79 HDAC6 (0.43) —

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-2015116502-A1 DETECTION AND TREATMENT OF GNAQ MUTANT UVEAL MELANOMA CELLS WITH GOLD NANOPARTICLES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-08-06 — — WO disclosed
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