SCHEMBL22355507

SCHEMBL22355507

CCC(CC)COC(=O)CNP(=O)(OC[C@@H]1CCC(c2ccc3c(N)ncnn23)O1)Oc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 1/20 0.32
▸ RIPK1 Q13546 4/20 0.31
▸ POLRMT O00411 1/20 0.31
▸ TNK2 Q07912 2/20 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
SCHEMBL19504133 1.00 DOT1L (0.32) DOT1LRIPK1POLRMTTNK2
SCHEMBL18666884 1.00 DOT1L (0.32) DOT1LRIPK1POLRMTTNK2
SCHEMBL24058411 1.00 DOT1L (0.32) DOT1LRIPK1POLRMTTNK2
SCHEMBL24148687 0.93 BTN3A1 (0.33) —
SCHEMBL22355553 0.90 CYP3A4 (0.36) DOT1LRIPK1POLRMT
SCHEMBL22393557 0.90 CYP3A4 (0.36) DOT1LRIPK1POLRMT
SCHEMBL22355532 0.89 BTN3A1 (0.34) DOT1LRIPK1POLRMT
SCHEMBL24158211 0.86 DOT1L (0.34) DOT1LRIPK1POLRMTTNK2
SCHEMBL24149591 0.85 CSNK2A2 (0.31) POLRMT
SCHEMBL24149020 0.85 DOT1L (0.37) DOT1LPOLRMT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3212175-B1 METHODS FOR THE PREPARATION OF RIBOSIDES GILEAD SCIENCES INC (US) 2021-11-24 — — EP disclosed
EP-3785717-A1 METHODS FOR TREATING CORONAVIRIDAE INFECTIONS Gilead Sciences, Inc. (US) 2021-03-03 — — EP disclosed
EP-3695844-A1 METHODS FOR TREATING NIPAH VIRUS INFECTIONS Gilead Sciences, Inc. (US) 2020-08-19 — — EP disclosed
Send feedback