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SCHEMBL18759043

SCHEMBL18759043

COc1ccc(C(OC2C(O[Si](C)(C)C(C)(C)C)[C@H](n3cnc4c(=O)[nH]c(NC(=O)COc5ccc(C(C)C)cc5)nc43)O[C@@H]2COP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 2/20 0.36
▸ TAS1R3 Q7RTX0 2/20 0.33
▸ TAS1R1 Q7RTX1 2/20 0.33
▸ HPGD P15428 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL18759035 1.00 TYMP (0.36) TYMPTAS1R3TAS1R1HPGDNPC1
SCHEMBL21184283 1.00 TYMP (0.36) TYMPTAS1R3TAS1R1HPGDNPC1
SCHEMBL21171618 1.00 TYMP (0.36) TYMPTAS1R3TAS1R1HPGDNPC1
SCHEMBL21163079 1.00 TYMP (0.36) TYMPTAS1R3TAS1R1HPGDNPC1
SCHEMBL18769139 1.00 TYMP (0.36) TYMPTAS1R3TAS1R1HPGDNPC1
SCHEMBL18769277 0.91 TYMP (0.35) TYMPTAS1R3TAS1R1ALDH1A1KDM4E
SCHEMBL18759047 0.86 TAS1R3 (0.43) TYMPTAS1R3TAS1R1HPGDALDH1A1
SCHEMBL18769136 0.86 TAS1R3 (0.41) TYMPTAS1R3TAS1R1HPGD
SCHEMBL21725233 0.85 TAS1R3 (0.42) TYMPTAS1R3TAS1R1HPGD
SCHEMBL668541 0.85 TYMP (0.43) TYMPTAS1R3TAS1R1HPGDKDM4E

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-2017066797-A1 TRINUCLEOTIDE MRNA CAP ANALOGS MODERNATX, INC. (US) 2017-04-20 — — WO disclosed
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