SCHEMBL13889498

SCHEMBL13889498

CC[C@H]1O[C@@H](n2ncc3c(=O)[nH]c(C)nc32)CC1OC(=O)CCC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 17/20 0.34
▸ PDE1C Q14123 3/20 0.34
▸ RNASE1 P07998 1/20 0.34
▸ PDE1B Q01064 3/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ CCND1 P24385 1/20 0.33
▸ SLC6A2 P23975 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
SCHEMBL12601707 1.00 PDE9A (0.34) PDE9APDE1CRNASE1PDE1BCDK4
SCHEMBL12601702 0.91 PDE9A (0.33) PDE9APDE1CRNASE1PDE1BCDK4
SCHEMBL13889500 0.91 PDE9A (0.33) PDE9APDE1CRNASE1PDE1BCDK4
SCHEMBL889780 0.88 CDK4 (0.35) PDE9APDE1CPDE1BCDK4CCND1
SCHEMBL12601708 0.80 TK2 (0.40) PDE9APDE1CPDE1BCDK4CCND1
SCHEMBL13889499 0.80 TK2 (0.40) PDE9APDE1CPDE1BCDK4CCND1
SCHEMBL889896 0.79 CDK4 (0.34) PDE9APDE1CPDE1BCDK4CCND1
SCHEMBL13889497 0.74 POLB (0.38) —
SCHEMBL12601698 0.74 POLB (0.38) —
SCHEMBL13166487 0.69 RNASE1 (0.36) RNASE1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517978-B1 Modified oligonucleotides and applications thereof APPLIED BIOSYSTEMS, LLC (US) 2009-04-14 — — US disclosed
Send feedback