SCHEMBL26239590

SCHEMBL26239590

C[C@]12O[C@@H](c3ccc4c(N)ncnn34)[C@H](O)[C@@]1(O)C2OC(=O)OC1CCCCCCC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.37
▸ DOT1L Q8TEK3 3/20 0.34
▸ PIK3CD O00329 6/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PAX8 Q06710 1/20 0.31
▸ STING1 Q86WV6 1/20 0.31
▸ GRM5 P41594 1/20 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
SCHEMBL26239930 0.95 POLRMT (0.39) POLRMTDOT1LPIK3CDSTING1
SCHEMBL26229877 0.88 POLRMT (0.38) POLRMTDOT1LPIK3CDSTING1
SCHEMBL26230172 0.87 POLRMT (0.38) POLRMTDOT1LPIK3CDSTING1
SCHEMBL26229927 0.85 POLRMT (0.41) POLRMTDOT1LPIK3CDSTING1
SCHEMBL26240577 0.84 POLRMT (0.39) POLRMTDOT1LPIK3CDSTING1GRM5
SCHEMBL26239700 0.84 POLRMT (0.34) POLRMTDOT1LPIK3CD
SCHEMBL26832673 0.82 POLRMT (0.45) POLRMTDOT1LPIK3CDALDH1A1MAPT
SCHEMBL26229808 0.82 POLRMT (0.40) POLRMTDOT1L
SCHEMBL26241444 0.82 POLRMT (0.39) POLRMTDOT1L
SCHEMBL23818765 0.81 POLRMT (0.34) 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
Send feedback