SCHEMBL13858952

SCHEMBL13858952

CC(C)(C)[Si](C)(C)C(O)[C@H]1O[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](O)[C@@H]1OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.38
▸ PTPN1 P18031 6/20 0.37
▸ CDC25B P30305 6/20 0.37
▸ PDPK1 O15530 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ PTPN2 P17706 2/20 0.34
▸ PTPN6 P29350 2/20 0.34
▸ PTPN11 Q06124 2/20 0.34
▸ TACR1 P25103 2/20 0.34
▸ SSTR5 P35346 1/20 0.34
▸ BCHE P06276 2/20 0.33
▸ LGALS3 P17931 1/20 0.33

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
SCHEMBL30723213 0.76 BCHE (0.33) SLC6A2BCHE
SCHEMBL4011573 0.73 SSTR1 (0.39) PTPN1CDC25BPTPN2SSTR5BCHE
SCHEMBL16027437 0.72 PTPN1 (0.46) PTPN1CDC25BPDPK1MTORPTPN2
SCHEMBL16027344 0.72 PTPN1 (0.46) PTPN1CDC25BPDPK1MTORPTPN2
SCHEMBL4285024 0.72 PTPN1 (0.46) PTPN1CDC25BPDPK1MTORPTPN2
SCHEMBL16027439 0.72 PTPN1 (0.46) PTPN1CDC25BPDPK1MTORPTPN2
SCHEMBL4283122 0.72 PTPN1 (0.46) PTPN1CDC25BPDPK1MTORPTPN2
SCHEMBL16027346 0.72 PTPN1 (0.46) PTPN1CDC25BPDPK1MTORPTPN2
SCHEMBL20056306 0.72 PTPN1 (0.46) PTPN1CDC25BPDPK1MTORPTPN2
SCHEMBL5328931 0.72 PDPK1 (0.45) SLC6A2PTPN1CDC25BPDPK1MTOR

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-2012156750-A1 HIV VACCINE ISIS INNOVATION LIMITED (GB) 2012-11-22 — — WO disclosed
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