SCHEMBL9584012

SCHEMBL9584012

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OCn1cnc2c(SC)ncnc21

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 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
▸ MAPT P10636 1/20 0.37
▸ ENPP2 Q13822 4/20 0.36
▸ CYP3A4 P08684 3/20 0.36
▸ CYP2D6 P10635 3/20 0.36

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
SCHEMBL9583885 0.94 CYP1A2 (0.50) CYP1A2TSHRALDH1A1LMNAPRKCA
SCHEMBL10816341 0.88 CYP1A2 (0.51) CYP1A2TSHRALDH1A1CYP3A4CYP2D6
SCHEMBL9584645 0.86 EP300 (0.52) ALDH1A1EP300CYP3A4CYP2D6
SCHEMBL9584354 0.86 EP300 (0.52) ALDH1A1EP300CYP3A4CYP2D6
SCHEMBL9583247 0.86 CYP2C19 (0.43) CYP1A2TSHRALDH1A1LMNAPRKCA
SCHEMBL9583975 0.86 CYP2C19 (0.43) CYP1A2TSHRALDH1A1LMNAPRKCA
SCHEMBL9584601 0.86 CYP2C19 (0.43) CYP1A2TSHRALDH1A1LMNAPRKCA
SCHEMBL9583472 0.85 P2RY1 (0.46) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL9584499 0.85 CYP1A2 (0.46) CYP1A2ALDH1A1LMNAPRKCAPRKCE
SCHEMBL9584672 0.84 ALDH1A1 (0.38) CYP1A2TSHRALDH1A1LMNAPRKCA

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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