SCHEMBL13646772

SCHEMBL13646772

CCN(CC)c1ccc2c(c1)cc(C)n2C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NR1H2 P55055 15/20 0.39
▸ NR1H3 Q13133 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TGFBR1 P36897 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL16199251 0.84 NR1H2 (0.38) NR1H2NR1H3
SCHEMBL15040570 0.80 NR1H2 (0.49) KDM4ENR1H2NR1H3ALDH1A1HPGD
SCHEMBL10173695 0.80 NR1H2 (0.49) NR1H2NR1H3
SCHEMBL18966700 0.79 ESR2 (0.43) KDM4ENR1H2NR1H3ALDH1A1
SCHEMBL3835028 0.79 MAPT (0.43) MAPTKDM4ENPC1RAB9ANR1H2
SCHEMBL4389624 0.78 AKR1C3 (0.49) NR1H2NR1H3L3MBTL1
SCHEMBL1621434 0.78 NR1H2 (0.43) NR1H2NR1H3
SCHEMBL5436506 0.78 NR1H2 (0.44) NR1H2NR1H3
SCHEMBL13291550 0.78 NR1H2 (0.44) KDM4ENR1H2NR1H3
SCHEMBL5839140 0.76 AKR1C3 (0.42) NR1H2NR1H3

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
EP-2108642-A1 JAK INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2009-10-14 — — EP disclosed
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