SCHEMBL9178985

SCHEMBL9178985

COCCOCOc1c(C(C)(C)C)cc(-c2noc(C)n2)cc1C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
AOC3 Q16853 2/20 0.36
P2RX3 P56373 3/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
PLK1 P53350 1/20 0.33
MAPT P10636 3/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CNR2 P34972 1/20 0.32
NR1I2 O75469 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
ATM Q13315 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL9181355 0.79 MEN1 (0.32) AOC3HPGD
SCHEMBL4748124 0.75 L3MBTL1 (0.55) L3MBTL1AOC3MAPTCYP3A4CYP2D6
SCHEMBL9181603 0.74 ALDH1A1 (0.43) ALDH1A1
SCHEMBL8729518 0.72 KDM4E (0.48) AOC3PTGS2MAPTALDH1A1LMNA
SCHEMBL9179855 0.70 RARG (0.41) PTGS1PTGS2LMNA
SCHEMBL9180813 0.70 PTGS2 (0.32) PTGS2
SCHEMBL9179326 0.70 CYP1A2 (0.40) CYP3A4CYP2D6LMNA
SCHEMBL8725371 0.69 MAPT (0.40) L3MBTL1PTGS1PTGS2MAPTALDH1A1
SCHEMBL9179431 0.69 CTNNB1 (0.32)
SCHEMBL6917737 0.69 CA12 (0.41) L3MBTL1MAPTCYP3A4ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0371438-B1 3,5-Di-tertiary-butyl-4-hydroxyphenyl-1,3,4-thiadiazoles, and oxadiazoles and 3,5-di-tertiary-butyl-4-hydroxiphenyl- 1,2,4-thiadiazoles, -oxadiazoles as antiinflammatory agents WARNER LAMBERT CO (US) 1995-08-30 EP disclosed
EP-0593923-B1 Water-insoluble sulfur dyes, their preparation and their use CASSELLA FARBWERKE MAINKUR AG (DE) 1995-08-09 EP disclosed
US-5376670-A 3,5-di-tertiary-butyl-4-hydroxyphenyl-1,3,4-thiadiazoles, and oxadiazoles and 3,5-di-tertiary-butyl-4-hydroxyphenyl-1,2,4-thiadazoles, oxadiazoles and triazoles as antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1994-12-27 US disclosed
EP-0593923-A1 Water-insoluble sulfur dyes, their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1994-04-27 EP disclosed
US-5256680-A 3,5-di-tertiary-butyl-4-hydroxyphenyl-1,3,4-thiadiazoles, and oxadiazoles and 3,5-di-tertiary-butyl-4-hydroxy-phenyl-1,2,4-thiadazoles, oxadiazoles and triazoles as antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1993-10-26 US disclosed
US-5155122-A Cyclooxygenase, lipoxygenase inhibitors WARNER-LAMBERT COMPANY (US) 1992-10-13 US disclosed
EP-0371438-A2 3,5-Di-tertiary-butyl-4-hydroxyphenyl-1,3,4-thiadiazoles, and oxadiazoles and 3,5-di-tertiary-butyl-4-hydroxiphenyl- 1,2,4-thiadiazoles, -oxadiazoles as antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1990-06-06 EP disclosed