SCHEMBL9582896

SCHEMBL9582896

CCC=CCCCCCCCC(=O)OCCCOC(OC(=O)CCCCCCCC=CCC)N1CNc2c1nc(N)[nH]c2=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ HPRT1 P00492 4/20 0.34
▸ P2RY10 O00398 4/20 0.33
▸ GPR34 Q9UPC5 1/20 0.33
▸ PRKCE Q02156 1/20 0.32
▸ PRKCQ Q04759 1/20 0.32
▸ PRKCD Q05655 1/20 0.32
▸ PRKCA P17252 1/20 0.32
▸ LPAR1 Q92633 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
SCHEMBL9582932 0.98 ALDH1A1 (0.39) ALDH1A1MEN1GAAKMT2ACYP3A4
SCHEMBL9584112 0.95 ALDH1A1 (0.42) ALDH1A1MEN1GAAKMT2AP2RY10
SCHEMBL9583508 0.95 ALDH1A1 (0.42) ALDH1A1MEN1GAAKMT2AP2RY10
SCHEMBL9583018 0.93 ALDH1A1 (0.40) ALDH1A1MEN1GAAKMT2AP2RY10
SCHEMBL9582553 0.93 HPRT1 (0.36) ALDH1A1MEN1GAAKMT2ACYP3A4
SCHEMBL10481416 0.90 ALDH1A1 (0.46) ALDH1A1MEN1GAAKMT2AHPRT1
SCHEMBL9583138 0.90 MEN1 (0.38) ALDH1A1MEN1GAAKMT2AHPRT1
SCHEMBL10481488 0.90 HPRT1 (0.35) ALDH1A1MEN1GAAKMT2AHPRT1
SCHEMBL9584835 0.88 HPRT1 (0.36) ALDH1A1MEN1GAAKMT2AHPRT1
SCHEMBL9582996 0.86 CNR1 (0.38) ALDH1A1HPRT1PRKCEPRKCQPRKCD

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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