SCHEMBL26229753

SCHEMBL26229753

C[C@]1(COC(=O)c2ccccc2)O[C@@H](c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.47
▸ DOT1L Q8TEK3 3/20 0.40
▸ TNK2 Q07912 3/20 0.36
▸ RIPK1 Q13546 5/20 0.36
▸ SLC22A1 O15245 1/20 0.33
▸ SYNJ2 O15056 2/20 0.33

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
SCHEMBL26229818 0.93 POLRMT (0.46) POLRMTDOT1LTNK2
SCHEMBL26231208 0.91 POLRMT (0.43) POLRMTDOT1LTNK2RIPK1SLC22A1
SCHEMBL26230341 0.89 POLRMT (0.49) POLRMTDOT1LRIPK1
SCHEMBL26229880 0.87 POLRMT (0.46) POLRMTDOT1LTNK2RIPK1
SCHEMBL26230098 0.87 POLRMT (0.48) POLRMTDOT1LTNK2RIPK1
SCHEMBL26230093 0.87 POLRMT (0.48) POLRMTDOT1LRIPK1
SCHEMBL26238995 0.87 POLRMT (0.48) POLRMTDOT1LRIPK1
SCHEMBL26235400 0.86 POLRMT (0.47) POLRMTDOT1LRIPK1
SCHEMBL26229762 0.86 POLRMT (0.47) POLRMTDOT1LTNK2RIPK1
SCHEMBL26229975 0.86 POLRMT (0.47) POLRMTDOT1LRIPK1

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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