SCHEMBL26229762

SCHEMBL26229762

C[C@]1(COC(=O)C2CC2)O[C@@H](c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.47
▸ DOT1L Q8TEK3 3/20 0.37
▸ TNK2 Q07912 1/20 0.35
▸ STING1 Q86WV6 1/20 0.32
▸ RIPK1 Q13546 4/20 0.32
▸ MTOR P42345 1/20 0.31
▸ RICTOR Q6R327 1/20 0.31
▸ RPTOR Q8N122 1/20 0.31
▸ MAPKAP1 Q9BPZ7 1/20 0.31
▸ MLST8 Q9BVC4 1/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ LGMN Q99538 1/20 0.30
▸ CSNK2A2 P19784 1/20 0.30
▸ CSNK2A1 P68400 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
SCHEMBL26229976 0.96 POLRMT (0.46) POLRMTDOT1LTNK2STING1RIPK1
SCHEMBL26229811 0.95 POLRMT (0.46) POLRMTDOT1LTNK2STING1PIK3CD
SCHEMBL26230753 0.94 POLRMT (0.47) POLRMTDOT1LTNK2STING1RIPK1
SCHEMBL26230098 0.90 POLRMT (0.48) POLRMTDOT1LTNK2STING1RIPK1
SCHEMBL26230341 0.89 POLRMT (0.49) POLRMTDOT1LSTING1RIPK1PIK3CD
SCHEMBL26238995 0.88 POLRMT (0.48) POLRMTDOT1LSTING1RIPK1CSNK2A2
SCHEMBL26230093 0.88 POLRMT (0.48) POLRMTDOT1LSTING1RIPK1
SCHEMBL26832849 0.87 POLRMT (0.46) POLRMTDOT1LSTING1RIPK1CSNK2A2
SCHEMBL26229975 0.87 POLRMT (0.47) POLRMTDOT1LSTING1RIPK1
SCHEMBL26235400 0.87 POLRMT (0.47) POLRMTDOT1LSTING1RIPK1CSNK2A2

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-2023168194-A1 ANTIVIRAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME GILEAD SCIENCES, INC. (US) 2023-09-07 — — WO disclosed
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