SCHEMBL9584672

SCHEMBL9584672

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OCn1cnc2c(SC)nc(N(C)C)nc21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ PRKCA P17252 3/20 0.36
▸ PRKCE Q02156 1/20 0.36
▸ PRKCQ Q04759 1/20 0.36
▸ PRKCD Q05655 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ CYP1A2 P05177 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ENPP2 Q13822 5/20 0.34
▸ LPAR1 Q92633 3/20 0.33
▸ LPAR3 Q9UBY5 3/20 0.33
▸ LPAR6 P43657 1/20 0.33
▸ LPAR4 Q99677 1/20 0.33
▸ LPAR5 Q9H1C0 1/20 0.33
▸ LPAR2 Q9HBW0 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL10815175 0.89 PDE3A (0.35) ALDH1A1LMNAPDE3ACYP1A2TSHR
SCHEMBL9583247 0.88 CYP2C19 (0.43) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL9583975 0.88 CYP2C19 (0.43) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL9584601 0.88 CYP2C19 (0.43) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL10813165 0.85 PDE3A (0.41) ALDH1A1LMNAPDE3ACYP1A2TSHR
SCHEMBL9584012 0.84 CYP1A2 (0.52) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL9584085 0.82 TLR2 (0.34) —
SCHEMBL9583322 0.82 PDE3A (0.41) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL9583455 0.82 ALDH1A1 (0.40) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL10816124 0.80 PDE3A (0.36) ALDH1A1LMNAPDE3ASMN1; SMN2

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 3 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
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