SCHEMBL15534962

SCHEMBL15534962

COC(=O)C1(C)CCC(CN)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.38
PLAT P00750 1/20 0.38
LMNA P02545 1/20 0.38
CYP2D6 P10635 1/20 0.36
KCNH2 Q12809 1/20 0.35
TPSAB1 Q15661 1/20 0.33
TPSD1 Q9BZJ3 1/20 0.33
TPSG1 Q9NRR2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
NCF1 P14598 1/20 0.32
FFAR3 O14843 1/20 0.32
MAPT P10636 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 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
SCHEMBL14380147 0.83 FFAR3 (0.33) LMNANPSR1FFAR3MAPTCYP4F2
SCHEMBL9044471 0.83 CYP4F2 (0.35) LMNANPSR1FFAR3MAPTCYP4F2
SCHEMBL31200302 0.81 NPSR1 (0.32) NPSR1FFAR3MAPTCYP4F2CYP4A11
SCHEMBL17317622 0.80 FFAR4 (0.39) FFAR3
SCHEMBL27344356 0.79 PLG (0.36) PLGPLATLMNACYP2D6KCNH2
SCHEMBL483341 0.79 PLG (0.36) PLGPLATLMNACYP2D6KCNH2
SCHEMBL9043242 0.79 FFAR3 (0.36) LMNANPSR1FFAR3MAPT
SCHEMBL13240708 0.79 FFAR3 (0.36) LMNANPSR1FFAR3MAPT
SCHEMBL13240707 0.79 FFAR3 (0.36) LMNANPSR1FFAR3MAPT
Hydrochloric Acid SCHEMBL1543212 0.77 FFAR3 (0.34) LMNANPSR1FFAR3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019063748-A1 ROR-GAMMA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-04-04 WO disclosed
WO-2019063748-A1 ROR-GAMMA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-04-04 WO disclosed
WO-2013177349-A2 QUINAZOLINEDIONES AS TANKYRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-11-28 WO disclosed