SCHEMBL9583472

SCHEMBL9583472

CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)OCn1cnc2c(NC)ncnc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ PDE4A P27815 3/20 0.41
▸ PDE4B Q07343 3/20 0.41
▸ PDE4C Q08493 3/20 0.41
▸ PDE4D Q08499 3/20 0.41
▸ PRKCA P17252 3/20 0.39
▸ PRKCE Q02156 1/20 0.39
▸ PRKCQ Q04759 1/20 0.39
▸ PRKCD Q05655 1/20 0.39
▸ EP300 Q09472 1/20 0.39
▸ PDE5A O76074 2/20 0.39
▸ PDE1A P54750 2/20 0.39
▸ PDE1B Q01064 2/20 0.39
▸ PDE3B Q13370 2/20 0.39
▸ PDE1C Q14123 2/20 0.39
▸ PDE3A Q14432 2/20 0.39
▸ CCNB2 O95067 1/20 0.37
▸ CDK1 P06493 1/20 0.37

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
SCHEMBL9583786 0.96 P2RY1 (0.48) P2RY1ALDH1A1LMNAPDE4APDE4B
SCHEMBL9583151 0.87 ALDH1A1 (0.40) P2RY1ALDH1A1LMNAPRKCAPRKCE
SCHEMBL10814386 0.86 P2RY1 (0.46) P2RY1PDE4APDE4BPDE4CPDE4D
SCHEMBL9584354 0.86 EP300 (0.52) ALDH1A1EP300
SCHEMBL9584645 0.86 EP300 (0.52) ALDH1A1EP300
SCHEMBL9583789 0.86 HDAC1 (0.49) P2RY1YTHDC1
SCHEMBL9583957 0.86 ABCB1 (0.41) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL9584012 0.85 CYP1A2 (0.52) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL9584499 0.85 CYP1A2 (0.46) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL9584373 0.83 PDE3A (0.43) ALDH1A1LMNAPRKCAPRKCEPRKCQ

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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