SCHEMBL8433590

SCHEMBL8433590

CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](NC(=O)c2ccc(OCCCCCCCCCC)c(OCCCCCCCCCC)c2)[C@@H](OCc2ccccc2)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 7/20 0.37
▸ LY96 Q9Y6Y9 6/20 0.37
▸ CNR2 P34972 1/20 0.36
▸ PTPN2 P17706 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ SMPD1 P17405 4/20 0.35
▸ POLB P06746 1/20 0.35
▸ NT5E P21589 1/20 0.35
▸ SSTR2 P30874 3/20 0.35
▸ SSTR3 P32745 3/20 0.35
▸ SSTR5 P35346 3/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SSTR1 P30872 1/20 0.34
▸ SSTR4 P31391 1/20 0.34

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
SCHEMBL8433586 0.95 SSTR5 (0.37) TLR4LY96CNR2SMPD1SSTR2
SCHEMBL8433583 0.85 CNR2 (0.37) TLR4LY96CNR2SMPD1POLB
SCHEMBL8434876 0.84 TLR4 (0.43) TLR4LY96SMPD1
SCHEMBL8434878 0.84 TLR4 (0.43) TLR4LY96SMPD1
SCHEMBL10417891 0.81 CA1 (0.41) CNR2SMPD1SSTR2SSTR3SSTR5
SCHEMBL10419816 0.80 SMPD1 (0.37) TLR4LY96CNR2SMPD1
SCHEMBL10419814 0.80 SMPD1 (0.37) TLR4LY96CNR2SMPD1
SCHEMBL8434430 0.77 SSTR5 (0.51) SSTR2SSTR3SSTR5SSTR1SSTR4
SCHEMBL8435577 0.77 L3MBTL1 (0.39) CNR2SMPD1MEN1KMT2A
SCHEMBL10418866 0.76 CA1 (0.42) CNR2SMPD1SSTR2SSTR3SSTR5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE36385-E TREATMENT OF TUMORS, ENHANCING IMMUNITY ONO PHARMACEUTICAL CO., LTD. (JP) 1999-11-09 — — US disclosed
EP-0288888-B1 Novel glucopyranose derivatives ONO PHARMACEUTICAL CO (JP) 1993-12-08 — — EP disclosed
US-4925929-A ANTITUMOR AGENTS ONO PHARMACEUTICAL CO. LTD. (JP) 1990-05-15 — — US disclosed
EP-0288888-A2 Novel glucopyranose derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1988-11-02 — — EP disclosed
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