SCHEMBL9626749

SCHEMBL9626749

CC1(C)CCc2c(ccc3c2CCC(=O)N3)O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 2/20 0.38
▸ HSP90AA1 P07900 2/20 0.36
▸ HPGD P15428 3/20 0.35
▸ LMNA P02545 3/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ MAPK13 O15264 1/20 0.34
▸ MAPK12 P53778 1/20 0.34
▸ MAPK11 Q15759 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ IDO1 P14902 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CES2 O00748 1/20 0.33
▸ GMNN O75496 1/20 0.33
▸ TDP2 O95551 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33

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
SCHEMBL9626819 0.72 PKM (0.39) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL9617096 0.70 CA9 (0.41) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL23461782 0.68 KIF11 (0.36) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL9626684 0.68 PDE4D (0.41) PDE4DHSP90AA1HPGDLMNANPC1
SCHEMBL19365882 0.67 HSP90AA1 (0.52) PDE4DHSP90AA1HPGDTP53CYP3A4
SCHEMBL29590196 0.67 KDM4E (0.62) PDE4DHPGDLMNAKDM4EMEN1
SCHEMBL4253824 0.65 IDO1 (0.38) PDE4DHSP90AA1HPGDLMNAIDO1
SCHEMBL9627709 0.65 BRD4 (0.36) LMNANPC1MAPK13MAPK12MAPK11
SCHEMBL2486626 0.65 TDP1 (0.40) HSP90AA1TDP1CTSB
SCHEMBL21087315 0.65 HSP90AA1 (0.37) PDE4DHSP90AA1HPGDLMNAIDO1

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-5093339-A Anticoagulant, hypotensive, antiangina, antiasthma, antiulcer, anti-platelet activating factor KODAMA KABUSHIKI KAISHA (JP) 1992-03-03 — — US disclosed
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