SCHEMBL26229976

SCHEMBL26229976

C[C@]1(COC(=O)C2CCCC2)O[C@@H](c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.46
▸ DOT1L Q8TEK3 3/20 0.36
▸ TNK2 Q07912 1/20 0.32
▸ PRKCA P17252 1/20 0.31
▸ PRKCE Q02156 1/20 0.31
▸ RASGRP3 Q8IV61 1/20 0.31
▸ STING1 Q86WV6 1/20 0.31
▸ RIPK1 Q13546 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PIK3CD O00329 2/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL26229811 0.99 POLRMT (0.46) POLRMTDOT1LTNK2PRKCAPRKCE
SCHEMBL26229762 0.96 POLRMT (0.47) POLRMTDOT1LTNK2STING1RIPK1
SCHEMBL26230753 0.92 POLRMT (0.47) POLRMTDOT1LTNK2STING1RIPK1
SCHEMBL26230341 0.88 POLRMT (0.49) POLRMTDOT1LSTING1RIPK1PIK3CD
SCHEMBL26832673 0.87 POLRMT (0.45) POLRMTDOT1LSTING1ALDH1A1MAPT
SCHEMBL25388428 0.86 POLRMT (0.44) POLRMTDOT1LTNK2STING1PIK3CD
SCHEMBL26230093 0.86 POLRMT (0.48) POLRMTDOT1LSTING1RIPK1
SCHEMBL26238995 0.86 POLRMT (0.48) POLRMTDOT1LSTING1RIPK1
SCHEMBL26230098 0.86 POLRMT (0.48) POLRMTDOT1LTNK2STING1RIPK1
SCHEMBL26239568 0.86 POLRMT (0.45) POLRMTDOT1LSTING1PIK3CD

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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