SCHEMBL16207692

SCHEMBL16207692

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 13/20 0.47
▸ ACHE P22303 9/20 0.47
▸ PTPRF P10586 1/20 0.38
▸ PTPN2 P17706 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CAPN1 P07384 2/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA1 P30542 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
SCHEMBL17583803 1.00 BCHE (0.47) BCHEACHEPTPRFPTPN2PTPN1
SCHEMBL17583806 1.00 BCHE (0.47) BCHEACHEPTPRFPTPN2PTPN1
SCHEMBL16982822 0.92 BCHE (0.46) BCHEACHEPTPRFPTPN2PTPN1
SCHEMBL16982718 0.92 BCHE (0.46) BCHEACHEPTPRFPTPN2PTPN1
SCHEMBL16949984 0.92 BCHE (0.46) BCHEACHEPTPRFPTPN2PTPN1
SCHEMBL15709627 0.80 BCHE (0.50) BCHEACHEPTPRFPTPN2PTPN1
SCHEMBL16207669 0.78 CA12 (0.48) BCHEACHEPTPRFPTPN2PTPN1
SCHEMBL16207668 0.78 CA12 (0.48) BCHEACHEPTPRFPTPN2PTPN1
SCHEMBL16215647 0.78 CA12 (0.44) BCHEACHEPTPRFPTPN2PTPN1
SCHEMBL15709102 0.78 BCHE (0.47) BCHEACHEPTPRFPTPN2PTPN1

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
EP-2799443-A1 Modified solid support for the synthesis of oligonucleotides Fundación Imdea Nanociencia (ES) 2014-11-05 — — EP disclosed
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