SCHEMBL8913332

SCHEMBL8913332

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

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTR1D P28221 2/20 0.31
HTR1B P28222 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
SCHEMBL39016 0.80 CYP2C9 (0.37) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL8913370 0.80 CYP2C9 (0.33) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL39338 0.75 POLB (0.36) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL31347633 0.73 POLB (0.36) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL460101 0.70 ALDH1A1 (0.36) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL7643769 0.69 CYP2C9 (0.33) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL29421164 0.68 ALDH1A1 (0.35) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL39015 0.68 ALDH1A1 (0.35) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL5455460 0.67 ALDH1A1 (0.34) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL7941412 0.66 POLB (0.40) CYP1A2CYP3A4CYP2C9TSHRCYP2C19

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 5 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-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