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SCHEMBL20798309

SCHEMBL20798309

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](OC(=S)N3CCS(=O)(=O)CC3)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 6/20 0.49
▸ P2RY12 Q9H244 2/20 0.43
▸ PRMT6 Q96LA8 1/20 0.42
▸ P2RY2 P41231 1/20 0.41
▸ P2RY1 P47900 1/20 0.41
▸ P2RY6 Q15077 1/20 0.41
▸ GAPDH P04406 1/20 0.41

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
SCHEMBL13830309 1.00 TYMP (0.49) TYMPP2RY12PRMT6P2RY2P2RY1
SCHEMBL13838270 1.00 TYMP (0.49) TYMPP2RY12PRMT6P2RY2P2RY1
SCHEMBL10459461 0.93 TYMP (0.48) TYMPP2RY12P2RY2P2RY1P2RY6
SCHEMBL10461147 0.93 TYMP (0.48) TYMPP2RY12P2RY2P2RY1P2RY6
SCHEMBL918173 0.87 TYMP (0.55) TYMPP2RY12PRMT6P2RY2P2RY1
SCHEMBL918174 0.87 TYMP (0.55) TYMPP2RY12PRMT6P2RY2P2RY1
SCHEMBL23650062 0.87 TYMP (0.58) TYMPP2RY12P2RY2P2RY1P2RY6
SCHEMBL30396368 0.87 TYMP (0.58) TYMPP2RY12P2RY2P2RY1P2RY6
SCHEMBL6513309 0.87 TYMP (0.58) TYMPP2RY12P2RY2P2RY1P2RY6
SCHEMBL30091055 0.87 TYMP (0.58) TYMPP2RY12P2RY2P2RY1P2RY6

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-3681637-A1 BIOPOLYMER SYNTHESIS SYSTEM AND METHOD Synthego Corporation (US) 2020-07-22 — — EP disclosed
WO-2019051430-A1 BIOPOLYMER SYNTHESIS SYSTEM AND METHOD SYNTHEGO CORPORATION (US) 2019-03-14 — — WO disclosed
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