SCHEMBL8910117

SCHEMBL8910117

CCCCCCCCCCCCSC(CC(c1cc(C(C)(C)C)c(O)cc1C)c1cc(C(C)(C)C)c(O)cc1C)CC(CC(C)c1cc(C(C)(C)C)c(O)cc1C)(c1cc(C(C)(C)C)c(O)cc1C)c1cc(C(C)(C)C)c(O)cc1C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.48
ALOX15 P16050 2/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL9849116 0.85 TP53 (0.46) TP53ALOX15CYP2D6CYP2C9CYP2C19
SCHEMBL8910111 0.83 TP53 (0.52) TP53ALOX15CYP2D6CYP2C9CYP2C19
SCHEMBL78066 0.83 ALOX15 (0.56) TP53ALOX15CYP2D6CYP2C9CYP2C19
SCHEMBL11299586 0.83 ALOX15 (0.56) TP53ALOX15CYP2D6CYP2C9CYP2C19
SCHEMBL29357967 0.83 ALOX15 (0.56) TP53ALOX15CYP2D6CYP2C9CYP2C19
SCHEMBL11304480 0.83 ALOX15 (0.56) TP53ALOX15CYP2D6CYP2C9CYP2C19
SCHEMBL11298009 0.83 ALOX15 (0.56) TP53ALOX15CYP2D6CYP2C9CYP2C19
SCHEMBL569715 0.82 ALOX15 (0.59) TP53ALOX15CYP2D6CYP2C9CYP2C19
SCHEMBL6547724 0.82 ALOX15 (0.51) TP53ALOX15CYP2D6CYP2C9CYP2C19
SCHEMBL6548163 0.82 ALOX15 (0.51) TP53ALOX15CYP2D6CYP2C9CYP2C19

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
US-5597854-A PHOTOGRAPHIC APPLICATIONS, COATINGS, BINDERS, POLYMERS, TRIAZINE OR PYRIMIDINE COMPOUNDS CIBA-GEIGY CORPORATION (US) 1997-01-28 US disclosed
EP-0356687-B1 Bis (tri-tertiary-alkylphenoxy) diphosphaspiroundecanes GE SPECIALTY CHEM (US) 1994-06-22 EP disclosed
EP-0523007-A1 Novel tetramethylpiperidine compounds for use as stabilisers for organic materials CIBA-GEIGY AG (CH) 1993-01-13 EP disclosed