SCHEMBL9582996

SCHEMBL9582996

CCCCCC=CCC=CCCCCCCCC(=O)OC(OCCCO)N1CNc2c1nc(N)[nH]c2=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 4/20 0.38
▸ CNR2 P34972 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ FAAH O00519 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ S1PR1 P21453 1/20 0.37
▸ MGLL Q99685 1/20 0.37
▸ HPRT1 P00492 1/20 0.35
▸ PRKCE Q02156 1/20 0.35
▸ PRKCQ Q04759 1/20 0.35
▸ PRKCD Q05655 1/20 0.35
▸ PRKCA P17252 1/20 0.35
▸ THRB P10828 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ SOAT1 P35610 1/20 0.34

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
SCHEMBL9584835 0.98 HPRT1 (0.36) CNR1CNR2ALDH1A1MAPTFAAH
SCHEMBL9583018 0.93 ALDH1A1 (0.40) CNR1CNR2ALDH1A1MAPTFAAH
SCHEMBL9582553 0.93 HPRT1 (0.36) ALDH1A1HPRT1PRKCEPRKCQPRKCD
SCHEMBL9583508 0.91 ALDH1A1 (0.42) CNR1ALDH1A1MAPTPRKCEPRKCQ
SCHEMBL9584112 0.91 ALDH1A1 (0.42) CNR1ALDH1A1MAPTPRKCEPRKCQ
SCHEMBL9582932 0.89 ALDH1A1 (0.39) CNR1CNR2ALDH1A1MAPTHPGD
SCHEMBL9584094 0.86 HPRT1 (0.43) HPRT1
SCHEMBL9582896 0.86 ALDH1A1 (0.36) ALDH1A1HPRT1PRKCEPRKCQPRKCD
SCHEMBL10481416 0.85 ALDH1A1 (0.46) ALDH1A1HPRT1
SCHEMBL9583518 0.84 HPRT1 (0.43) HPRT1

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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