Sugi Predict

Sugi Predict / Compounds / SCHEMBL9160680

SCHEMBL9160680

SCHEMBL9160680

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

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ RNASE1 P07998 1/20 0.41
▸ TK1 P04183 3/20 0.40
▸ DTYMK P23919 1/20 0.40
▸ TK2 O00142 1/20 0.39

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
SCHEMBL9160674 0.90 DTYMK (0.40) RNASE1TK1DTYMKTK2
SCHEMBL60737 0.85 TK1 (0.52) TK1
SCHEMBL9564565 0.85 TK1 (0.52) TK1
SCHEMBL7535867 0.85 TK1 (0.52) TK1
SCHEMBL8999406 0.84 TK1 (0.45) RNASE1TK1
SCHEMBL8426287 0.84 TK1 (0.45) RNASE1TK1
SCHEMBL8598213 0.81 RNASE1 (0.45) RNASE1TK1
SCHEMBL8714144 0.81 RNASE1 (0.44) RNASE1TK1
SCHEMBL1322836 0.80 RNASE1 (0.48) RNASE1TK1
SCHEMBL7602581 0.80 LMNA (0.39) TK1

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-5470967-A Hybridization probes to detect nucleic acid sequences THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1995-11-28 — — US disclosed
EP-0517796-B1 OLIGONUCLEOTIDE ANALOGS DU PONT MERCK PHARMA (US) 1995-04-19 — — EP disclosed
EP-0517796-A1 OLIGONUCLEOTIDE ANALOGS. DU PONT (US) 1992-12-16 — — EP disclosed
WO-1991015500-A1 OLIGONUCLEOTIDE ANALOGS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-10-17 — — WO disclosed