SCHEMBL8006736

SCHEMBL8006736

COOC[C@@H]1C[C@H](Oc2cc(-c3nc(C(F)(F)F)cs3)nc3c(C)c(OC)ccc23)CN1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.33
PDE4B Q07343 5/20 0.33
PDE11A Q9HCR9 2/20 0.33
PDE10A Q9Y233 2/20 0.33
UCHL1 P09936 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
CTSB P07858 1/20 0.31
PPP3CB P16298 1/20 0.31
ADRB3 P13945 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31

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
SCHEMBL8002276 0.93 PDE4B (0.33) PDE4BPDE11APDE10AUCHL1PDE4A
SCHEMBL313037 0.88 UCHL1 (0.39) CTSSPDE4BPDE11APDE10AUCHL1
SCHEMBL3808212 0.88 UCHL1 (0.39) CTSSPDE4BPDE11APDE10AUCHL1
SCHEMBL312719 0.87 UCHL1 (0.37) CTSSPDE4BPDE11APDE10AUCHL1
SCHEMBL312718 0.87 UCHL1 (0.37) CTSSPDE4BPDE11APDE10AUCHL1
SCHEMBL10247252 0.82 PIK3CD (0.35) UCHL1
SCHEMBL10118821 0.81 UCHL1 (0.37) CTSSUCHL1CTSBPPP3CB
SCHEMBL312963 0.80 UCHL1 (0.36) CTSSUCHL1CTSBPPP3CBADRB3
SCHEMBL312962 0.80 UCHL1 (0.36) CTSSUCHL1CTSBPPP3CBADRB3
SCHEMBL7994784 0.80 UCHL1 (0.36) CTSSUCHL1CTSBPPP3CBADRB3

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-2009099596-A2 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARAMACEUTICALS, INC. (US) 2009-08-13 WO disclosed