SCHEMBL8545823

SCHEMBL8545823

CC(C)COc1c(OCc2ccccc2)cccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.55
FABP3 P05413 2/20 0.47
FABP4 P15090 2/20 0.47
FABP5 Q01469 2/20 0.47
SGMS2 Q8NHU3 2/20 0.47
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
FOLH1 Q04609 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.45
EDNRA P25101 1/20 0.45
MCL1 Q07820 1/20 0.45
MRGPRX4 Q96LA9 2/20 0.45
NPC1 O15118 1/20 0.45
HTT P42858 1/20 0.45
RXRA P19793 2/20 0.45
RXRB P28702 1/20 0.45

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
SCHEMBL8086389 0.89 MAPK1 (0.49) PTGER1FABP3FABP4FABP5MAPK1
SCHEMBL1305739 0.87 PTGER1 (0.61) PTGER1FABP3FABP4FABP5SGMS2
SCHEMBL15298795 0.85 PTGER1 (0.59) PTGER1FABP3FABP4FABP5SGMS2
SCHEMBL23536856 0.83 PTGER1 (0.60) PTGER1SGMS2MAPTMAPK1TDP1
SCHEMBL5501764 0.80 SCN9A (0.59) PTGER1L3MBTL1MEN1KMT2AMRGPRX4
SCHEMBL29502881 0.80 SCN9A (0.59) PTGER1L3MBTL1MEN1KMT2AMRGPRX4
SCHEMBL29244980 0.79 PTGER1 (0.59) PTGER1SGMS2MAPTMAPK1TDP1
SCHEMBL8489879 0.79 MAPT (0.57) PTGER1SGMS2MAPTMAPK1TDP1
SCHEMBL7908707 0.78 MCL1 (0.54) PTGER1FOLH1MEN1KMT2AALDH1A1
SCHEMBL477006 0.78 ALDH1A1 (0.59) TDP1MEN1KMT2AALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0728128-B1 SUBSTITUTED PHENYL COMPOUNDS RHONE POULENC RORER LTD (GB) 1998-09-16 EP claimed
EP-0728128-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1996-08-28 EP claimed
WO-1995013262-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1995-05-18 WO claimed