SCHEMBL9583275

SCHEMBL9583275

CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OCn1cnc2cnc(N)nc21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
ADRA1A P35348 1/20 0.49
HSD17B10 Q99714 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
LMNA P02545 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
PRKCA P17252 3/20 0.40
PRKCE Q02156 1/20 0.40
PRKCQ Q04759 1/20 0.40
PRKCD Q05655 1/20 0.40
MAPT P10636 1/20 0.38
EP300 Q09472 2/20 0.37
ENPP2 Q13822 5/20 0.37
PDE3A Q14432 1/20 0.37
LPAR1 Q92633 1/20 0.36
LPAR3 Q9UBY5 1/20 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
SCHEMBL9582923 0.95 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL8448390 0.93 PDE3A (0.47) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL8449563 0.93 PDE3A (0.47) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL8448373 0.93 PDE3A (0.47) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL8449919 0.91 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL8578278 0.91 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL8445978 0.91 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL8445987 0.91 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL9583455 0.87 ALDH1A1 (0.40) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL9583536 0.84 CDK1 (0.46) ALDH1A1LMNAPRKCAPRKCEPRKCQ

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