SCHEMBL4055913

SCHEMBL4055913

COc1cccc(-c2nccc(O)c2CC(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
DYRK1A Q13627 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
RECQL P46063 1/20 0.44
CTSA P10619 1/20 0.44
VDR P11473 1/20 0.43
PPARD Q03181 1/20 0.43
KCNA5 P22460 1/20 0.43
KMT2A Q03164 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
MAPK1 P28482 1/20 0.43
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL4186865 0.81 KDM4E (0.46) LMNAKMT2AALDH1A1HPGD
SCHEMBL4166291 0.80 KCNA5 (0.59) LMNADYRK1ACLK4RECQLCTSA
SCHEMBL1965244 0.73 PIN1 (0.54) LMNADYRK1ACLK4KCNA5KMT2A
SCHEMBL6856287 0.72 CSNK2A2 (0.43) RECQLVDRPPARDKMT2ARXRA
SCHEMBL22160863 0.72 DHODH (0.59) LMNADYRK1ACLK4VDRKCNA5
SCHEMBL30832877 0.72 DHODH (0.59) LMNADYRK1ACLK4VDRKCNA5
SCHEMBL11248876 0.71 TP53 (0.53) LMNARECQLKMT2AMAPK1ALDH1A1
SCHEMBL4207967 0.71 PTGS1 (0.59) LMNATHRATHRBHDAC4HDAC8
SCHEMBL14983473 0.70 PIK3CG (0.55) LMNAHDAC4HDAC8DYRK1ACLK4
SCHEMBL4193609 0.70 MAPK1 (0.49) LMNAKMT2AMAPK1ALDH1A1HPGD

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
EP-2024371-A1 PHENANTHRENE DERIVATIVES AS MPGES-1 INHIBITORS Merck Frosst Canada Ltd. (CA) 2009-02-18 EP disclosed
WO-2007134434-A1 PHENANTHRENE DERIVATIVES AS MPGES-1 INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-11-29 WO disclosed