SCHEMBL9710318

SCHEMBL9710318

COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C(O)C2O)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TYMP P19971 11/20 0.62
P2RY6 Q15077 3/20 0.44
TK2 O00142 1/20 0.44
P2RY14 Q15391 1/20 0.44
TK1 P04183 1/20 0.43

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
SCHEMBL15974161 1.00 TYMP (0.62) TYMPP2RY6TK2P2RY14TK1
SCHEMBL13714472 1.00 TYMP (0.62) TYMPP2RY6TK2P2RY14TK1
SCHEMBL3069438 1.00 TYMP (0.62) TYMPP2RY6TK2P2RY14TK1
SCHEMBL6246850 1.00 TYMP (0.62) TYMPP2RY6TK2P2RY14TK1
SCHEMBL13205014 1.00 TYMP (0.62) TYMPP2RY6TK2P2RY14TK1
SCHEMBL3069436 1.00 TYMP (0.62) TYMPP2RY6TK2P2RY14TK1
SCHEMBL5953147 0.94 TYMP (0.57) TYMPTK2TK1
SCHEMBL8535403 0.94 TYMP (0.57) TYMPTK2TK1
SCHEMBL8535399 0.94 TYMP (0.57) TYMPTK2TK1
SCHEMBL4626083 0.94 TYMP (0.57) TYMPTK2TK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0188400-B1 OLIGOPEPTIDES, INTERMEDIATES AND PROCESS FOR THEIR PREPARATION CIBA-GEIGY AG (CH) 1992-07-08 EP disclosed
EP-0168342-B1 PROCESS FOR THE PREPARATION OF THROMBIN INHIBITORS CIBA-GEIGY AG (CH) 1991-07-03 EP disclosed
EP-0146785-B1 PROCESS FOR THE PREPARATION OF PROTEASE INHIBITORS CIBA-GEIGY AG (CH) 1990-02-07 EP disclosed
EP-0188400-A2 Oligopeptides, intermediates and process for their preparation CIBA-GEIGY AG (CH) 1986-07-23 EP disclosed
EP-0168342-A1 Process for the preparation of thrombin inhibitors CIBA-GEIGY AG (CH) 1986-01-15 EP disclosed
EP-0146785-A1 Process for the preparation of protease inhibitors CIBA-GEIGY AG (CH) 1985-07-03 EP disclosed