SCHEMBL9583789

SCHEMBL9583789

CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OCn1cnc2c(NC)nc(Cl)nc21

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.49
▸ HDAC2 Q92769 2/20 0.49
▸ P2RY1 P47900 3/20 0.48
▸ YTHDC1 Q96MU7 8/20 0.47
▸ HDAC8 Q9BY41 1/20 0.44

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
SCHEMBL9584187 0.96 P2RY1 (0.50) HDAC1HDAC2P2RY1YTHDC1
SCHEMBL9583151 0.90 ALDH1A1 (0.40) HDAC1HDAC2P2RY1
SCHEMBL9583957 0.89 ABCB1 (0.41) HDAC1HDAC2HDAC8
SCHEMBL9583019 0.87 HDAC1 (0.42) HDAC1HDAC2HDAC8
SCHEMBL9584540 0.87 HDAC1 (0.42) HDAC1HDAC2HDAC8
SCHEMBL9583472 0.86 P2RY1 (0.46) P2RY1YTHDC1
SCHEMBL9584373 0.86 PDE3A (0.43) HDAC1HDAC2
SCHEMBL9583122 0.84 PDE3A (0.47) HDAC1HDAC2HDAC8
SCHEMBL9583322 0.84 PDE3A (0.41) HDAC1HDAC2
SCHEMBL9583468 0.83 PDE3A (0.47) HDAC1HDAC2

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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