SCHEMBL10884776

SCHEMBL10884776

CC(C)(C)OC(=O)NC(CC(=O)N[C@H]1[C@@H](O)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1C(=O)O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 6/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ TMEM97 Q5BJF2 1/20 0.51
▸ SIGMAR1 Q99720 1/20 0.51
▸ NPEPPS P55786 2/20 0.49
▸ DOT1L Q8TEK3 1/20 0.48
▸ ADORA3 P0DMS8 3/20 0.48
▸ ADORA2B P29275 2/20 0.48

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
SCHEMBL11196402 0.88 NPEPPS (0.47) NPEPPSADORA2B
SCHEMBL10883806 0.88 NPEPPS (0.47) NPEPPSADORA2B
SCHEMBL11060550 0.84 AHCY (0.60) AHCYHIF1ATMEM97SIGMAR1ADORA3
SCHEMBL10885013 0.81 AHCY (0.51) AHCYHIF1ATMEM97SIGMAR1ADORA3
SCHEMBL10885676 0.80 AHCY (0.55) AHCYHIF1ATMEM97SIGMAR1NPEPPS
SCHEMBL11060590 0.79 NPEPPS (0.51) AHCYHIF1ATMEM97SIGMAR1NPEPPS
SCHEMBL10886624 0.79 AHCY (0.65) AHCYHIF1ATMEM97SIGMAR1ADORA3
SCHEMBL10888062 0.78 AHCY (0.63) AHCYHIF1ATMEM97SIGMAR1ADORA3
SCHEMBL10884594 0.78 NPEPPS (0.50) AHCYHIF1ATMEM97SIGMAR1NPEPPS
SCHEMBL10884413 0.78 AHCY (0.67) AHCYHIF1ATMEM97SIGMAR1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0071926-B1 NEW RIBOFURANURONIC ACID DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-10-08 — — EP disclosed
US-4479942-A Tetrahydrofurnancarboxylic acid derivatives, processes for preparation thereof and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-30 — — US disclosed
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