SCHEMBL9583249

SCHEMBL9583249

CCCC(=O)OCC(COC(=O)CCC)OCn1cnc2c(NC)nc(N)nc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3A Q14432 1/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ VCP P55072 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ P2RY1 P47900 3/20 0.39
▸ HDAC1 Q13547 4/20 0.38
▸ ADORA3 P0DMS8 3/20 0.38
▸ ADORA1 P30542 3/20 0.38
▸ ADORA2B P29275 1/20 0.38
▸ CYP2C19 P33261 1/20 0.37
▸ YTHDC1 Q96MU7 1/20 0.37
▸ HDAC3 O15379 3/20 0.37
▸ HDAC4 P56524 3/20 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
SCHEMBL9583957 0.93 ABCB1 (0.41) PDE3AMEN1ALDH1A1LMNACYP3A4
SCHEMBL9583122 0.89 PDE3A (0.47) PDE3AMEN1ALDH1A1LMNACYP3A4
SCHEMBL9583403 0.85 PDE3A (0.43) PDE3AMEN1ALDH1A1LMNACYP3A4
SCHEMBL9584187 0.83 P2RY1 (0.50) P2RY1HDAC1YTHDC1HDAC2
SCHEMBL10817685 0.83 PDE3A (0.40) PDE3AMEN1ALDH1A1LMNACYP3A4
SCHEMBL9583151 0.82 ALDH1A1 (0.40) PDE3AALDH1A1LMNAP2RY1HDAC1
SCHEMBL9583789 0.81 HDAC1 (0.49) P2RY1HDAC1YTHDC1HDAC2HDAC8
SCHEMBL9582915 0.81 MEN1 (0.56) PDE3AMEN1ALDH1A1LMNACYP3A4
SCHEMBL9583142 0.80 CDK1 (0.46) PDE3AMEN1ALDH1A1LMNACYP3A4
SCHEMBL9583245 0.80 CDK1 (0.46) PDE3AMEN1ALDH1A1LMNACYP3A4

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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