SCHEMBL31082815

SCHEMBL31082815

CC(C)(C)OC(=O)Nc1ccccc1C(=O)OC1C(OP(=O)(OCc2ccccc2)OCc2ccccc2)C(O)C(CO)OC1n1ccc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 P41231 5/20 0.39
▸ P2RY12 Q9H244 1/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ LGALS8 O00214 2/20 0.34
▸ LGALS9 O00182 1/20 0.34
▸ LGALS1 P09382 1/20 0.34
▸ LGALS3 P17931 1/20 0.34
▸ LGALS7; LGALS7B P47929 1/20 0.34
▸ P2RY4 P51582 3/20 0.34
▸ P2RY6 Q15077 3/20 0.34
▸ TK2 O00142 4/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL30295220 1.00 P2RY2 (0.39) P2RY2P2RY12TAS1R3TAS1R1LGALS8
SCHEMBL30295354 0.85 LGALS9 (0.39) P2RY2P2RY12TAS1R3TAS1R1LGALS8
SCHEMBL30295230 0.84 LGALS9 (0.45) P2RY2LGALS8LGALS9LGALS1LGALS3
SCHEMBL30295359 0.81 MEN1 (0.32) —
SCHEMBL30295326 0.80 TK2 (0.36) P2RY2LGALS8LGALS9LGALS1LGALS3
SCHEMBL30295350 0.74 ADORA1 (0.43) P2RY2P2RY12TAS1R3TAS1R1LGALS8
SCHEMBL30295307 0.74 LGALS9 (0.49) LGALS8LGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL25101187 0.70 RXFP1 (0.31) P2RY2P2RY12RXFP1
SCHEMBL30295285 0.70 RXFP1 (0.31) P2RY2P2RY12RXFP1
SCHEMBL25101174 0.70 LGALS9 (0.46) LGALS8LGALS9LGALS1LGALS3LGALS7; LGALS7B

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-2024182664-A1 MODIFIED RNA COMPOSITIONS AND RELATED METHODS BOYCE THOMPSON INSTITUTE FOR PLANT RESEARCH, INC. (US) 2024-09-06 — — WO disclosed
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