SCHEMBL9583975

SCHEMBL9583975

CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OCn1cnc2c(SC)nc(N)nc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.43
▸ HK1 P19367 1/20 0.42
▸ HKDC1 Q2TB90 1/20 0.42
▸ SLC29A1 Q99808 3/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ HIF1A Q16665 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ VCP P55072 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PRKCA P17252 3/20 0.37
▸ PRKCE Q02156 1/20 0.37
▸ PRKCQ Q04759 1/20 0.37
▸ PRKCD Q05655 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
SCHEMBL9583247 1.00 CYP2C19 (0.43) CYP2C19HK1HKDC1SLC29A1PDE3A
SCHEMBL9584601 1.00 CYP2C19 (0.43) CYP2C19HK1HKDC1SLC29A1PDE3A
SCHEMBL9583245 0.89 CDK1 (0.46) CYP2C19PDE3AALDH1A1LMNACYP3A4
SCHEMBL9583458 0.89 CDK1 (0.46) CYP2C19PDE3AALDH1A1LMNACYP3A4
SCHEMBL9583536 0.89 CDK1 (0.46) CYP2C19PDE3AALDH1A1LMNACYP3A4
SCHEMBL9583142 0.89 CDK1 (0.46) CYP2C19PDE3AALDH1A1LMNACYP3A4
SCHEMBL10814397 0.88 CYP2C19 (0.43) CYP2C19HK1HKDC1SLC29A1PDE3A
SCHEMBL9583697 0.88 HDAC6 (0.42) PDE3AALDH1A1LMNACYP3A4HIF1A
SCHEMBL9584672 0.88 ALDH1A1 (0.38) PDE3AALDH1A1LMNASMN1; SMN2PRKCA
SCHEMBL9584400 0.86 PDE3A (0.41) PDE3AALDH1A1LMNACYP3A4HIF1A

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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