SCHEMBL1584062

SCHEMBL1584062

CC1(C)COC2(CC3CC(OC(=O)c4ccccc4)CC3C2)OC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.52
▸ TSHR P16473 2/20 0.50
▸ CHRNA7 P36544 5/20 0.48
▸ HTR3E A5X5Y0 1/20 0.48
▸ HTR3B O95264 1/20 0.48
▸ HTR3A P46098 1/20 0.48
▸ HTR3D Q70Z44 1/20 0.48
▸ HTR3C Q8WXA8 1/20 0.48
▸ APOBEC3A P31941 1/20 0.47
▸ APOBEC3G Q9HC16 1/20 0.47
▸ LMNA P02545 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ EPHX2 P34913 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39

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
SCHEMBL13774762 0.87 CHRNA7 (0.51) GAATSHRCHRNA7HTR3EHTR3B
SCHEMBL16072769 0.79 RAB9A (0.46) GAATSHRKMT2A
SCHEMBL16077039 0.79 GAA (0.39) GAATSHRAPOBEC3AAPOBEC3GKMT2A
SCHEMBL16077026 0.79 RAB9A (0.46) GAATSHRKMT2A
SCHEMBL16072779 0.79 GAA (0.39) GAATSHRAPOBEC3AAPOBEC3GKMT2A
SCHEMBL16155139 0.79 RAB9A (0.46) GAATSHRKMT2A
SCHEMBL4152261 0.75 CHRNA7 (0.65) GAATSHRCHRNA7HTR3EHTR3B
SCHEMBL21570658 0.72 ACACA (0.36) KMT2AEPHX2
SCHEMBL21164349 0.72 CHRNA7 (0.56) GAATSHRCHRNA7HTR3EHTR3B
SCHEMBL15382227 0.72 CHRNA7 (0.57) GAATSHRCHRNA7HTR3EHTR3B

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-2011041713-A2 PIPERAZINYL ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-04-07 — — WO disclosed
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