SCHEMBL6057732

SCHEMBL6057732

CCCCN(CCCC)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 5/20 0.49
NR5A2 O00482 1/20 0.46
NR5A1 Q13285 1/20 0.46
HTT P42858 5/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 1/20 0.44
CYP1A2 P05177 4/20 0.43
CYP2C9 P11712 4/20 0.43
CYP2D6 P10635 4/20 0.43
HIF1A Q16665 2/20 0.43
TSHR P16473 4/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 2/20 0.40
XBP1 P17861 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSPA5 P11021 2/20 0.40

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
SCHEMBL10997917 0.94 CYP2C19 (0.46) CYP2C19NR5A2NR5A1HTTALDH1A1
SCHEMBL8410571 0.88 HTT (0.51) CYP2C19NR5A2NR5A1HTTALDH1A1
SCHEMBL8410860 0.87 HTT (0.50) CYP2C19NR5A2NR5A1HTTALDH1A1
SCHEMBL29757307 0.86 CYP2C19 (0.59) CYP2C19NR5A2NR5A1HTTALDH1A1
SCHEMBL16207718 0.86 CYP2C19 (0.59) CYP2C19NR5A2NR5A1HTTALDH1A1
SCHEMBL6053416 0.85 CYP2C19 (0.51) CYP2C19NR5A2NR5A1HTTALDH1A1
SCHEMBL8407909 0.85 HTT (0.62) CYP2C19NR5A2NR5A1HTTALDH1A1
SCHEMBL10999939 0.84 CYP2C19 (0.54) CYP2C19NR5A2NR5A1HTTALDH1A1
SCHEMBL16119938 0.82 CYP2C19 (0.45) CYP2C19NR5A2NR5A1HTTALDH1A1
SCHEMBL24870872 0.81 CYP2C19 (0.47) CYP2C19NR5A2NR5A1HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1440117-B1 POLYESTER AND POLYAMIDE COMPOSITIONS OF LOW RESIDUAL ALDEHYDE CONTENT CIBA SC HOLDING AG (CH) 2006-12-27 EP claimed
US-20050176859-A1 Polyester and polyamide compositions of low residual aldehyde content TINKL MICHAEL (CH) 2005-08-11 US claimed
EP-1440117-A2 POLYESTER AND POLYAMIDE COMPOSITIONS OF LOW RESIDUAL ALDEHYDE CONTENT Ciba SC Holding AG (CH) 2004-07-28 EP claimed
WO-2003031507-A2 POLYESTER AND POLYAMIDE COMPOSITIONS OF LOW RESIDUAL ALDEHYDE CONTENT CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-04-17 WO claimed
EP-1440117-B1 POLYESTER AND POLYAMIDE COMPOSITIONS OF LOW RESIDUAL ALDEHYDE CONTENT CIBA SC HOLDING AG (CH) 2006-12-27 EP disclosed
US-20050176859-A1 Polyester and polyamide compositions of low residual aldehyde content TINKL MICHAEL (CH) 2005-08-11 US disclosed
EP-1440117-A2 POLYESTER AND POLYAMIDE COMPOSITIONS OF LOW RESIDUAL ALDEHYDE CONTENT Ciba SC Holding AG (CH) 2004-07-28 EP disclosed
WO-2003031507-A2 POLYESTER AND POLYAMIDE COMPOSITIONS OF LOW RESIDUAL ALDEHYDE CONTENT CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-04-17 WO disclosed