SCHEMBL8655409

SCHEMBL8655409

C[Si](C)(C)CC[C@]1(OCc2ccccc2)[C@H](O)O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.43
PTPN1 P18031 8/20 0.41
CDC25B P30305 8/20 0.41
TACR2 P21452 2/20 0.40
PTPN2 P17706 4/20 0.39
PTPN6 P29350 4/20 0.39
PTPN11 Q06124 4/20 0.39
BCHE P06276 1/20 0.39
NT5E P21589 1/20 0.39
GJB2 P29033 2/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
SSTR1 P30872 1/20 0.37
SSTR2 P30874 1/20 0.37
SSTR4 P31391 1/20 0.37
SSTR3 P32745 1/20 0.37
SSTR5 P35346 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
SCHEMBL9148642 0.86 GJB2 (0.47) PTPN1CDC25BTACR2PTPN2PTPN6
SCHEMBL5397720 0.83 HTR1A (0.40) HTR1APTPN1CDC25BTACR2PTPN2
SCHEMBL5403031 0.83 HTR1A (0.40) HTR1APTPN1CDC25BTACR2PTPN2
SCHEMBL9145463 0.81 PTPN1 (0.42) PTPN1CDC25BPTPN2PTPN6PTPN11
SCHEMBL260047 0.80 TACR2 (0.39) HTR1APTPN1CDC25BTACR2BCHE
SCHEMBL1961041 0.79 HSPA5 (0.38) HTR1APTPN1CDC25BTACR2PTPN2
SCHEMBL2455059 0.78 PTPN1 (0.38) HTR1APTPN1CDC25BTACR2PTPN2
SCHEMBL2450072 0.75 TACR2 (0.35) HTR1APTPN1CDC25BTACR2PTPN2
SCHEMBL7115785 0.75 TACR2 (0.41) HTR1APTPN1CDC25BTACR2PTPN2
SCHEMBL7860675 0.75 NT5E (0.46) HTR1APTPN1CDC25BTACR2PTPN2

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
US-5808019-A Intermediate compounds for the synthesis of glycolipids TOA BOSHOKU KABUSHIKI KAISHA (JP) 1998-09-15 US disclosed