Sugi Predict

Sugi Predict / Compounds / SCHEMBL9755162

SCHEMBL9755162

SCHEMBL9755162

COC1(C(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](OC(=O)CCC(=O)O)[C@@H](CO)O[C@@]1(OC)n1cc(C)c(=O)[nH]c1=O

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ RNASE1 P07998 1/20 0.37
▸ TK2 O00142 6/20 0.35
▸ TK1 P04183 6/20 0.33
▸ TYMP P19971 1/20 0.33

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
SCHEMBL28282990 0.75 RNASE1 (0.38) RNASE1TK2TK1
SCHEMBL1705788 0.73 ABCG2 (0.34) TK2TK1
SCHEMBL1706308 0.72 RNASE1 (0.39) RNASE1TK2TK1
SCHEMBL9755149 0.71 RNASE1 (0.39) RNASE1TK2TK1
SCHEMBL4607858 0.71 RNASE1 (0.35) RNASE1TK2TK1TYMP
Succinic Acid SCHEMBL1705784 0.71 RNASE1 (0.37) RNASE1TK2TK1TYMP
SCHEMBL9064864 0.70 RNASE1 (0.38) RNASE1TK2TK1
SCHEMBL6756344 0.69 RNASE1 (0.37) RNASE1TK2TK1
SCHEMBL7640426 0.68 RNASE1 (0.39) RNASE1TK2TK1
SCHEMBL8823236 0.68 TK1 (0.39) RNASE1TK2TK1

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
EP-0450060-A1 DNA SEQUENCING SRI INTERNATIONAL (US) 1991-10-09 — — EP disclosed
WO-1991006678-A1 DNA SEQUENCING SRI INTERNATIONAL (US) 1991-05-16 — — WO disclosed