SCHEMBL13667662

SCHEMBL13667662

Cc1ncnn2c(C3(O)O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H]3OCc3ccccc3)ccc12

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 11/20 0.37
▸ CDC25B P30305 8/20 0.37
▸ HTR1A P08908 1/20 0.35
▸ BCHE P06276 1/20 0.34
▸ PTPN2 P17706 6/20 0.34
▸ PTPN6 P29350 4/20 0.34
▸ PTPN11 Q06124 4/20 0.34
▸ TACR2 P21452 2/20 0.34
▸ PDE2A O00408 1/20 0.32
▸ SSTR1 P30872 1/20 0.32
▸ SSTR2 P30874 1/20 0.32
▸ SSTR4 P31391 1/20 0.32
▸ SSTR3 P32745 1/20 0.32
▸ SSTR5 P35346 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
SCHEMBL31063739 0.89 PDE2A (0.37) PTPN1CDC25BHTR1ABCHEPTPN2
SCHEMBL28405132 0.89 BCHE (0.38) PTPN1CDC25BHTR1ABCHEPTPN2
SCHEMBL27086454 0.89 PDE2A (0.37) PTPN1CDC25BHTR1ABCHEPTPN2
SCHEMBL12393373 0.89 PDE2A (0.37) PTPN1CDC25BHTR1ABCHEPTPN2
SCHEMBL12243141 0.89 PDE2A (0.37) PTPN1CDC25BHTR1ABCHEPTPN2
SCHEMBL17106824 0.88 PTPN1 (0.36) PTPN1CDC25BHTR1ABCHEPTPN2
SCHEMBL25229913 0.85 PTPN1 (0.38) PTPN1CDC25BHTR1ABCHEPTPN2
SCHEMBL25263772 0.85 BCHE (0.36) PTPN1CDC25BHTR1ABCHEPTPN2
SCHEMBL12835934 0.84 HRH4 (0.33) —
SCHEMBL12243125 0.84 HRH4 (0.33) —

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
WO-2009132135-A1 1' -SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2009-10-29 — — WO disclosed
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