SCHEMBL185124

SCHEMBL185124

CCCCCCCCCc1cc(C(C)c2ccccc2)c(O)c(C(c2cc(CCCCCCCCC)cc(C(C)c3ccccc3)c2O)C(c2cc(CCCCCCCCC)cc(C(C)(C)c3ccccc3)c2O)c2cc(CCCCCCCCC)cc(C(C)(C)c3ccccc3)c2O)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTR2A P28223 1/20 0.37
PTGS2 P35354 2/20 0.35
KAT8 Q9H7Z6 2/20 0.34
CNR2 P34972 2/20 0.34
KCNH2 Q12809 1/20 0.33
CNR1 P21554 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL6396023 0.90 PTGS2 (0.40) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL8756671 0.88 HSPA5 (0.36) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL10437523 0.87 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL6275946 0.85 CYP1A2 (0.42) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL10398997 0.84 HTR2A (0.49) CYP3A4HTR2APTGS2KCNH2
SCHEMBL10771833 0.84 HTR2A (0.49) CYP3A4HTR2APTGS2KCNH2
SCHEMBL10775211 0.84 HTR2A (0.49) CYP3A4HTR2APTGS2KCNH2
SCHEMBL10776062 0.84 HTR2A (0.49) CYP3A4HTR2APTGS2KCNH2
SCHEMBL6400937 0.83 CYP3A4 (0.45) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL6396075 0.83 HTR2A (0.48) CYP3A4HTR2APTGS2KCNH2

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
EP-2402390-A1 Particles with a hindered amine light stabilizer and a microporous organic polymer BASF SE (DE) 2012-01-04 EP disclosed
EP-0665233-B1 1-Hydrocarbyloxy-piperidine compounds containing silane groups for use as stabilizers for organic materials CIBA SC HOLDING AG (CH) 2001-08-16 EP disclosed
US-5889095-A OXYGEN AND HEAT RESISTANCE SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1999-03-30 US disclosed
EP-0771814-A1 Amorphous and crystalline modifications of 1,1',1\"-nitrilo triethyl-tris[2,2'-methylene-bis(4,6-di-tert-butyl-phenyl)]phosphite Ciba SC Holding AG (CH) 1997-05-07 EP disclosed
EP-0647626-A1 Azadicarboxylic acid derivatives containing hindered amine moieties as polymer stabilisers CIBA-GEIGY AG (CH) 1995-04-12 EP disclosed