SCHEMBL9417705

SCHEMBL9417705

CC(C)(C)c1cc(SCc2ccc(C(=O)O)cc2)cc(C(C)(C)C)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
MCL1 Q07820 1/20 0.44
PLEC Q15149 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
EPHX2 P34913 2/20 0.44
NR1H4 Q96RI1 2/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
HPN P05981 1/20 0.44
ALOX15 P16050 1/20 0.44
SIRT5 Q9NXA8 1/20 0.44
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
GLRA3 O75311 1/20 0.42
GLRB P48167 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
SCHEMBL8496233 0.88 MAPT (0.55) ALDH1A1MAPTGAAMAPK1NPSR1
SCHEMBL9068527 0.86 ELANE (0.45) ALDH1A1MAPTGAAMAPK1MCL1
SCHEMBL6054565 0.85 EPHX2 (0.44) ALDH1A1MAPTGAAMAPK1NPSR1
SCHEMBL9362051 0.84 LMNA (0.43) ALDH1A1MAPTGAAMAPK1NPSR1
SCHEMBL8698399 0.82 PTGS1 (0.49) ALDH1A1MAPTGAAMAPK1NPSR1
SCHEMBL6054529 0.81 LMNA (0.49) MAPTGAAHPNALOX15SIRT5
SCHEMBL6054593 0.81 PTGS1 (0.50) ALDH1A1MAPTGAAMAPK1NPSR1
SCHEMBL8767800 0.80 PPARA (0.52) MAPTCYP1A2CYP2C19
SCHEMBL6054536 0.80 MAPT (0.51) ALDH1A1MAPTGAANR1H4VCAM1
SCHEMBL6054514 0.80 ALDH1A1 (0.41) ALDH1A1MAPTGAAMAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0348203-B1 PHENOLIC THIOETHERS, THEIR PRODUCTION AND USE SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1993-02-24 EP claimed
US-5084214-A Compounds for the treatment of artheriosclerosis SHIONOGI & CO., LTD. (JP) 1992-01-28 US claimed
US-4968710-A INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS RIKER LABORATORIES, INC. (US) 1990-11-06 US claimed
EP-0348203-A1 Phenolic thioethers, their production and use SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1989-12-27 EP claimed
EP-0317165-B1 DI-t-butylphenols substituted by an alkoxy or benzyloxy group or a benzylthio group RIKER LABORATORIES INC (US) 1994-01-26 EP disclosed
EP-0348203-B1 PHENOLIC THIOETHERS, THEIR PRODUCTION AND USE SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1993-02-24 EP disclosed
US-5084214-A Compounds for the treatment of artheriosclerosis SHIONOGI & CO., LTD. (JP) 1992-01-28 US disclosed
US-5066822-A Antiallergens RIKER LABORATORIES, INC (US) 1991-11-19 US disclosed
US-4968710-A INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS RIKER LABORATORIES, INC. (US) 1990-11-06 US disclosed
EP-0348203-A1 Phenolic thioethers, their production and use SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1989-12-27 EP disclosed
EP-0317165-A1 DI-t-butylphenols substituted by an alkoxy or benzyloxy group or a benzylthio group RIKER LABORATORIES, INC. (US) 1989-05-24 EP disclosed