SCHEMBL11529248

SCHEMBL11529248

CC(C)(C)c1cc(C(=O)c2ccccc2F)cc(C(C)(C)C)c1O.O=C(Cl)c1ccccc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ ALOX5 P09917 1/20 0.49
▸ PTGS1 P23219 1/20 0.49
▸ PTGS2 P35354 1/20 0.49
▸ MAPT P10636 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ LMNA P02545 2/20 0.47
▸ RECQL P46063 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ GMNN O75496 1/20 0.47
▸ TTR P02766 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ NFKB1 P19838 1/20 0.47

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
SCHEMBL29405270 0.93 ALOX5 (0.55) ALDH1A1ALOX15ALOX5PTGS1PTGS2
SCHEMBL10428376 0.79 MAPT (0.61) ALDH1A1ALOX15MAPTPOLBLMNA
SCHEMBL9596002 0.79 ALOX5 (0.55) ALDH1A1ALOX5PTGS1PTGS2POLB
SCHEMBL10449042 0.78 ALOX5 (0.58) ALDH1A1ALOX15ALOX5PTGS1PTGS2
Diethylamine SCHEMBL10428507 0.77 MAPT (0.46) ALDH1A1ALOX5PTGS1PTGS2MAPT
SCHEMBL29738659 0.77 ALOX5 (0.56) ALDH1A1ALOX15ALOX5PTGS1PTGS2
SCHEMBL10449258 0.77 ALOX5 (0.56) ALDH1A1ALOX15ALOX5PTGS1PTGS2
Hydrochloric Acid SCHEMBL10428505 0.76 MAPT (0.43) ALDH1A1ALOX5PTGS1PTGS2MAPT
Benzoyl Chloride SCHEMBL11599698 0.76 PTGS2 (0.55) ALDH1A1ALOX5PTGS1PTGS2LMNA
SCHEMBL29402957 0.76 PTGS2 (0.55) ALDH1A1ALOX5PTGS1PTGS2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4165383-A BENZOYL-2,6-DI(T-BUTYL)PHENOL AND DERIVATIVES RIKER LABORATORIES, INC. (US) 1979-08-21 — — US disclosed
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