Sugi Predict

Sugi Predict / Compounds / SCHEMBL8027668

SCHEMBL8027668

SCHEMBL8027668

COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2O[PH](O)(Cc2ccc(CC#N)cc2)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ RNASE1 P07998 1/20 0.41
▸ TK1 P04183 4/20 0.36
▸ TK2 O00142 1/20 0.36
▸ TOP2A P11388 3/20 0.36
▸ TYMS P04818 1/20 0.35

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
SCHEMBL3290516 0.91 RNASE1 (0.43) RNASE1TK1TK2TYMS
SCHEMBL6324546 0.86 RNASE1 (0.45) RNASE1TK1TK2TYMS
SCHEMBL8027650 0.85 RNASE1 (0.38) RNASE1TK1TK2TOP2ATYMS
SCHEMBL6232615 0.85 RNASE1 (0.42) RNASE1TK1TK2TYMS
SCHEMBL8034055 0.83 RNASE1 (0.40) RNASE1TK1TK2TYMS
SCHEMBL6735623 0.82 RNASE1 (0.41) RNASE1TK1TK2TYMS
SCHEMBL8027766 0.81 RNASE1 (0.41) RNASE1TK1TK2TOP2ATYMS
SCHEMBL6831287 0.81 RNASE1 (0.47) RNASE1TK1TOP2ATYMS
SCHEMBL24217748 0.80 RNASE1 (0.45) RNASE1TK1TK2TOP2ATYMS
SCHEMBL20398801 0.80 RNASE1 (0.45) RNASE1TK1TK2TOP2ATYMS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6160152-A Process for the synthesis of oligomeric compounds ISIS PHARMACEUTICALS, INC. (US) 2000-12-12 — — US disclosed
US-6020475-A Process for the synthesis of oligomeric compounds ISIS PHARMEUTICALS, INC. (US) 2000-02-01 — — US disclosed