SCHEMBL13560586

SCHEMBL13560586

CC(OC(=O)c1cc2cc(OCC[C@H]3COC(C)(C)O3)ccc2n1C(=O)O)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 2/20 0.35
▸ MAOA P21397 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.32
▸ HTR1A P08908 1/20 0.31
▸ ADRA1D P25100 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ ADRA1B P35368 1/20 0.31
▸ TMEM97 Q5BJF2 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31
▸ SRD5A2 P31213 1/20 0.30
▸ DGAT1 O75907 1/20 0.30

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
SCHEMBL3033868 0.80 NR1H2 (0.38) MAPK14MAOATMEM97SIGMAR1SRD5A2
SCHEMBL13560585 0.79 MAOA (0.36) MAPK14MAOA
SCHEMBL3023814 0.79 MAOA (0.42) MAPK14MAOA
SCHEMBL13560510 0.78 SRD5A2 (0.35) MAOASRD5A2
SCHEMBL13560588 0.78 MAPK14 (0.35) MAPK14MAOATMEM97SIGMAR1SRD5A2
SCHEMBL13560410 0.77 SRD5A2 (0.34) MAOASRD5A2
SCHEMBL13560477 0.77 SRD5A2 (0.35) MAOASRD5A2
SCHEMBL13560466 0.75 SRD5A2 (0.55) SRD5A2
SCHEMBL13560471 0.71 CLK1 (0.37) —
SCHEMBL13560567 0.70 CCR2 (0.35) MAPK14

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-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 — — US disclosed
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