SCHEMBL31467672

SCHEMBL31467672

COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@](N)(O)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYMP P19971 3/20 0.45
P2RY2 P41231 2/20 0.43
P2RY4 P51582 1/20 0.43
P2RY14 Q15391 2/20 0.41
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
DUT P33316 5/20 0.40
POLA1 P09884 1/20 0.39
NT5E P21589 1/20 0.38
P2RY6 Q15077 2/20 0.37

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
SCHEMBL13575501 0.90 P2RY2 (0.54) TYMPP2RY2P2RY4P2RY14CYP3A4
SCHEMBL21905172 0.90 TYMP (0.45) TYMPP2RY2P2RY4P2RY14CYP3A4
SCHEMBL13837115 0.90 TYMP (0.45) TYMPP2RY2P2RY4P2RY14CYP3A4
SCHEMBL31657584 0.88 CYP3A4 (0.52) TYMPP2RY2P2RY4P2RY14CYP3A4
SCHEMBL31657606 0.88 CYP3A4 (0.52) TYMPP2RY2P2RY4P2RY14CYP3A4
SCHEMBL17737292 0.88 CYP3A4 (0.52) TYMPP2RY2P2RY4P2RY14CYP3A4
SCHEMBL12701331 0.88 TYMP (0.45) TYMPP2RY2P2RY4P2RY14CYP3A4
SCHEMBL19185368 0.88 CYP3A4 (0.52) TYMPP2RY2P2RY4P2RY14CYP3A4
SCHEMBL31467678 0.87 TYMP (0.41) TYMPP2RY2P2RY4P2RY14CYP3A4
SCHEMBL4292414 0.87 TYMP (0.43) TYMPP2RY2P2RY4P2RY14CYP3A4

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
WO-2025063238-A1 SIRNA FOR SUPPRESSING EXPRESSION OF PHOSPHOLAMBAN 第一三共株式会社 2025-03-27 WO disclosed