SCHEMBL26235247

SCHEMBL26235247

C[C@@]1(COC(=O)OCCc2ccccc2)CC[C@H](c2ccc3c(N)ncnn23)O1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.35
▸ DOT1L Q8TEK3 1/20 0.34
▸ GRIN2B Q13224 1/20 0.33
▸ TNK2 Q07912 2/20 0.32
▸ RIPK1 Q13546 3/20 0.32
▸ DGAT1 O75907 1/20 0.31
▸ CHRM2 P08172 2/20 0.30
▸ CHRM4 P08173 2/20 0.30
▸ CHRM5 P08912 2/20 0.30
▸ CHRM1 P11229 2/20 0.30
▸ CHRM3 P20309 2/20 0.30
▸ P2RX4 Q99571 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
SCHEMBL26235530 0.92 POLRMT (0.36) POLRMTDOT1LTNK2RIPK1
SCHEMBL26235609 0.87 POLRMT (0.34) POLRMTDOT1L
SCHEMBL26235395 0.87 POLRMT (0.34) POLRMTDOT1L
SCHEMBL26235249 0.86 POLRMT (0.37) POLRMTDOT1LRIPK1
SCHEMBL26235537 0.85 POLRMT (0.36) POLRMTDOT1L
SCHEMBL26832526 0.85 POLRMT (0.35) POLRMTDOT1LRIPK1
SCHEMBL26235533 0.84 POLRMT (0.35) POLRMTDOT1L
SCHEMBL26235390 0.83 POLRMT (0.35) POLRMTDOT1L
SCHEMBL26235392 0.82 POLRMT (0.35) POLRMTDOT1L
SCHEMBL26235338 0.82 POLRMT (0.35) POLRMTDOT1L

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-2023168254-A1 ANTIVIRAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME GILEAD SCIENCES, INC. (US) 2023-09-07 — — WO disclosed
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