SCHEMBL8913370

SCHEMBL8913370

Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1C(C[PH](O)(O)O)c1c(C)cc(C(C)(C)C)cc1C(C)(C)C.Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1C(c1c(C)cc(C(C)(C)C)cc1C(C)(C)C)[PH](O)(O)O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 2/20 0.31
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30
TP53 P04637 1/20 0.30
CYP2D6 P10635 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL39016 0.93 CYP2C9 (0.37) CYP2C9CYP2C19CYP1A2CYP3A4TSHR
SCHEMBL39338 0.88 POLB (0.36) CYP2C9CYP2C19CYP1A2CYP3A4TSHR
SCHEMBL8913332 0.80 CYP1A2 (0.32) CYP2C9CYP2C19CYP1A2CYP3A4TSHR
SCHEMBL31347633 0.76 POLB (0.36) CYP2C9CYP2C19CYP1A2CYP3A4TSHR
SCHEMBL7643769 0.74 CYP2C9 (0.33) CYP2C9CYP2C19CYP1A2CYP3A4TSHR
SCHEMBL460101 0.70 ALDH1A1 (0.36) CYP2C9CYP2C19CYP1A2CYP3A4TSHR
SCHEMBL7941412 0.69 POLB (0.40) CYP2C9CYP2C19CYP1A2CYP3A4TSHR
SCHEMBL31414417 0.69 ALDH1A1 (0.35) CYP2C9CYP2C19CYP1A2CYP3A4TSHR
SCHEMBL39015 0.68 ALDH1A1 (0.35) CYP2C9CYP2C19CYP1A2CYP3A4TSHR
SCHEMBL29421164 0.68 ALDH1A1 (0.35) CYP2C9CYP2C19CYP1A2CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5616637-A PHOTOSTABILITY; OXIDTION AND HEAT RESISTANT CIBA-GEIGY CORPORATION (US) 1997-04-01 US disclosed
US-5597854-A PHOTOGRAPHIC APPLICATIONS, COATINGS, BINDERS, POLYMERS, TRIAZINE OR PYRIMIDINE COMPOUNDS CIBA-GEIGY CORPORATION (US) 1997-01-28 US disclosed
US-5534618-A Polyethers containing hindered amines which can be cleaved off as stabilizers CIBA-GEIGY CORPORATION (US) 1996-07-09 US disclosed
US-5514738-A POLYOLEFINS CIBA-GEIGY CORPORATION (US) 1996-05-07 US disclosed
US-5489683-A HEAT RESISTANCE, OXIDATION RESISTANCE CIBA-GEIGY CORPORATION (US) 1996-02-06 US disclosed
US-5439958-A Light, heat, and oxygen stabilizers for polyolefins CIBA-GEIGY CORPORATION (US) 1995-08-08 US disclosed