SCHEMBL26230753

SCHEMBL26230753

CC1(C)CC(C(=O)OC[C@@]2(C)O[C@@H](c3ccc4c(N)ncnn34)[C@H](O)[C@@H]2O)C1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.47
▸ DOT1L Q8TEK3 3/20 0.37
▸ RIPK1 Q13546 6/20 0.33
▸ STING1 Q86WV6 1/20 0.32
▸ TNK2 Q07912 2/20 0.31

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
SCHEMBL26229762 0.94 POLRMT (0.47) POLRMTDOT1LRIPK1STING1TNK2
SCHEMBL26229804 0.92 POLRMT (0.43) POLRMTDOT1LRIPK1STING1TNK2
SCHEMBL26229976 0.92 POLRMT (0.46) POLRMTDOT1LRIPK1STING1TNK2
SCHEMBL26229811 0.91 POLRMT (0.46) POLRMTDOT1LSTING1TNK2
SCHEMBL26230341 0.89 POLRMT (0.49) POLRMTDOT1LRIPK1STING1
SCHEMBL25384987 0.88 POLRMT (0.43) POLRMTDOT1LRIPK1STING1TNK2
SCHEMBL26230100 0.87 POLRMT (0.47) POLRMTDOT1LRIPK1STING1
SCHEMBL26238995 0.87 POLRMT (0.48) POLRMTDOT1LRIPK1STING1
SCHEMBL26230093 0.87 POLRMT (0.48) POLRMTDOT1LRIPK1STING1
SCHEMBL26230098 0.87 POLRMT (0.48) POLRMTDOT1LRIPK1STING1TNK2

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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