SCHEMBL16166548

SCHEMBL16166548

CCOC(=O)c1cc(CNC(=O)OC(C)(C)C)cnc1C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ ALOX15 P16050 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NPSR1 Q6W5P4 4/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ MAPT P10636 4/20 0.40
▸ RECQL P46063 1/20 0.40
▸ NAMPT P43490 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL14054369 0.85 PTGES (0.42) L3MBTL1MEN1KMT2ANPSR1DYRK1A
SCHEMBL16166680 0.80 KDM4E (0.43) L3MBTL1ALDH1A1ALOX15KDM4ENPSR1
SCHEMBL5593053 0.80 ALDH1A1 (0.47) ALDH1A1ALOX15KDM4EMEN1KMT2A
SCHEMBL509278 0.79 CYP2C19 (0.51) L3MBTL1ALDH1A1KDM4EKMT2ANPSR1
SCHEMBL506759 0.79 L3MBTL1 (0.47) L3MBTL1ALDH1A1MEN1KMT2ANPSR1
SCHEMBL9370802 0.78 KDM4E (0.50) L3MBTL1ALDH1A1ALOX15KDM4EMEN1
SCHEMBL1205923 0.78 TSHR (0.46) L3MBTL1KDM4EMEN1KMT2ANPSR1
SCHEMBL12240461 0.76 L3MBTL1 (0.41) L3MBTL1ALDH1A1MEN1KMT2ANPSR1
SCHEMBL24139848 0.75 DYRK1A (0.50) L3MBTL1KDM4ENPSR1DYRK1AMAPT
SCHEMBL31432106 0.74 MAPKAPK2 (0.45) L3MBTL1DYRK1ANAMPTBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014167444-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS mPGES-1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2014-10-16 — — WO disclosed
WO-2014167444-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS mPGES-1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2014-10-16 — — WO disclosed
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