SCHEMBL9583154

SCHEMBL9583154

CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)OCn1cnc2c(N(c3ccc(OC)cc3)C(c3ccccc3)c3ccccc3)ncnc21

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.35
TLR2 O60603 6/20 0.34
TBXAS1 P24557 3/20 0.34
EP300 Q09472 2/20 0.34
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL9583497 0.90 TLR2 (0.34) TLR2TBXAS1ALDH1A1LMNA
SCHEMBL9583922 0.90 TLR2 (0.34) TLR2TBXAS1ALDH1A1LMNA
SCHEMBL9583266 0.88 TLR2 (0.34) TLR2TBXAS1
SCHEMBL9584577 0.88 HPGD (0.38) HPGDFLT4KDRTP53
SCHEMBL9583030 0.85 TLR2 (0.33) TLR2TBXAS1
SCHEMBL9584017 0.84 CCNE2 (0.37) TLR2TBXAS1
SCHEMBL9584085 0.84 TLR2 (0.34) TLR2TBXAS1
SCHEMBL9584124 0.83 TLR2 (0.34) TLR2TBXAS1ALDH1A1LMNA
SCHEMBL9583392 0.82 HPGD (0.42) HPGDFLT4KDRTP53ALDH1A1
SCHEMBL9584499 0.81 CYP1A2 (0.46) EP300ALDH1A1LMNA

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