Sugi Predict

Sugi Predict / Compounds / SCHEMBL8931992

SCHEMBL8931992

SCHEMBL8931992

COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(O)[C@@]2(CCN)O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@]2(O)[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TK1 P04183 7/20 0.35
▸ NT5M Q9NPB1 1/20 0.35
▸ TK2 O00142 3/20 0.34
▸ RNASE1 P07998 1/20 0.34
▸ TOP2A P11388 2/20 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
SCHEMBL8931937 0.94 TK1 (0.36) TK1NT5MTK2RNASE1TOP2A
SCHEMBL8931967 0.92 RNASE1 (0.37) TK1NT5MTK2RNASE1TOP2A
SCHEMBL8931941 0.91 TK1 (0.36) TK1NT5MTK2RNASE1TOP2A
SCHEMBL8931926 0.91 TK1 (0.36) TK1NT5MTK2RNASE1TOP2A
SCHEMBL8931985 0.90 TK1 (0.33) TK1NT5MTK2RNASE1TOP2A
SCHEMBL8932056 0.90 TK1 (0.35) TK1NT5MTK2RNASE1TOP2A
SCHEMBL8932082 0.90 TK1 (0.35) TK1NT5MTK2RNASE1TOP2A
SCHEMBL8931956 0.89 TK1 (0.34) TK1NT5MTK2RNASE1TOP2A
SCHEMBL8932060 0.89 NT5M (0.35) TK1NT5MTK2RNASE1TOP2A
SCHEMBL8931903 0.86 RNASE1 (0.34) TK1NT5MTK2RNASE1

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-5681940-A CONTAIN TETRAHYDROTHIOPHENE OR PYROLIDINE RINGS ICN PHARMACEUTICALS (US) 1997-10-28 — — US disclosed