SCHEMBL26229867

SCHEMBL26229867

CC(=O)OC[C@@]1(C)O[C@@H](c2ccc3c(NC(=O)C(C)C)ncnn23)[C@H](O)[C@@H]1O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.35
▸ TMPRSS2 O15393 1/20 0.33
▸ TSHR P16473 1/20 0.31
▸ DOT1L Q8TEK3 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
SCHEMBL26229875 0.88 TMPRSS2 (0.37) POLRMTTMPRSS2TSHRDOT1L
SCHEMBL25388404 0.86 TMPRSS2 (0.38) POLRMTTMPRSS2
SCHEMBL26229812 0.85 POLRMT (0.35) POLRMTTMPRSS2DOT1L
SCHEMBL26230341 0.82 POLRMT (0.49) POLRMTDOT1L
SCHEMBL26229868 0.81 POLRMT (0.34) POLRMTTMPRSS2
SCHEMBL26229754 0.80 — —
SCHEMBL26287321 0.80 CYP3A4 (0.42) POLRMT
SCHEMBL26230093 0.79 POLRMT (0.48) POLRMTDOT1L
SCHEMBL26235345 0.79 LCK (0.35) POLRMTTMPRSS2TSHR
SCHEMBL25389634 0.78 TMPRSS2 (0.33) TMPRSS2

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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