Sugi Predict

Sugi Predict / Compounds / SCHEMBL8027766

SCHEMBL8027766

SCHEMBL8027766

CC=C([Si](c1ccccc1)(c1ccccc1)c1ccccc1)[PH](O)(O[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)N(C(C)C)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RNASE1 P07998 1/20 0.41
▸ TK1 P04183 5/20 0.37
▸ TK2 O00142 4/20 0.37
▸ TYMP P19971 1/20 0.37
▸ TYMS P04818 1/20 0.36
▸ TOP2A P11388 2/20 0.36

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
SCHEMBL6324546 0.89 RNASE1 (0.45) RNASE1TK1TK2TYMPTYMS
SCHEMBL3290516 0.83 RNASE1 (0.43) RNASE1TK1TK2TYMPTYMS
SCHEMBL6232615 0.82 RNASE1 (0.42) RNASE1TK1TK2TYMPTYMS
SCHEMBL8657849 0.82 RNASE1 (0.47) RNASE1TK1TK2TYMPTYMS
SCHEMBL8657852 0.82 RNASE1 (0.47) RNASE1TK1TK2TYMPTYMS
SCHEMBL8027668 0.81 RNASE1 (0.41) RNASE1TK1TK2TYMSTOP2A
SCHEMBL8672840 0.81 POLB (0.47) TYMP
SCHEMBL8034055 0.81 RNASE1 (0.40) RNASE1TK1TK2TYMPTYMS
SCHEMBL8670310 0.81 KDM4E (0.47) TYMP
SCHEMBL6830771 0.81 RNASE1 (0.51) RNASE1TK1TYMPTYMSTOP2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6051699-A Process for the synthesis of oligomeric compounds ISIS PHARMACEUTICALS, INC. (US) 2000-04-18 — — US disclosed
US-5859232-A Process for the synthesis of oligomeric phosphite, phosphodiester, phosphorothioate and phosphorodithioate compounds ISIS PHARMACEUTICALS, INC. (US) 1999-01-12 — — US disclosed
US-5705621-A Oligomeric phosphite, phosphodiester, Phosphorothioate and phosphorodithioate compounds and intermediates for preparing same ISIS PHARMACEUTICALS, INC. (US) 1998-01-06 — — US disclosed