SCHEMBL9583124

SCHEMBL9583124

CC(C)(C)C(=O)OCCCOC(OC(=O)C(C)(C)C)n1cnc2cnc(N)nc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.35
▸ IRAK4 Q9NWZ3 2/20 0.33
▸ BRD4 O60885 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ HSP90AB1 P08238 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
SCHEMBL9583081 0.84 CDK1 (0.44) POLBGAANPSR1
SCHEMBL10817902 0.84 KDM4E (0.42) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL9584953 0.82 CDC20 (0.35) POLBGAANPSR1HSP90AA1HSP90AB1
SCHEMBL9584438 0.79 ALDH1A1 (0.39) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL9583584 0.77 CYP1A2 (0.34) KDM4EALDH1A1HPGDHSD17B10BRD4
SCHEMBL1637315 0.74 KDM4E (0.37) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL9583904 0.73 CYP1A2 (0.39) —
SCHEMBL8465302 0.72 HSD17B10 (0.50) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL10997884 0.72 ALDH1A1 (0.50) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL10814877 0.72 KDM4E (0.32) KDM4EALDH1A1HPGDADRA1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5250535-A Herpes virus; nontoxic; side effect reduction; humans and veterinary medicine SYNTEX INC. (US) 1993-10-05 — — US disclosed
US-4803271-A Process for preparing guanine derivatives SYNTEX (U.S.A.) INC. (US) 1989-02-07 — — US disclosed
US-4612314-A Substituted 9-(1 or 3-monoacyloxy or 1,3-diacyloxy-2-propoxymethyl) purines as antiviral agent SYNTEX (U.S.A.) INC. (US) 1986-09-16 — — US disclosed
EP-0085424-A2 Substituted 9-(1 or 3-monoacyloxy or 1,3-diacyloxy-2-propoxymethyl)purines as antiviral agent SYNTEX (U.S.A.) INC. (US) 1983-08-10 — — EP disclosed
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