SCHEMBL3376888

SCHEMBL3376888

Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1.Cc1ccc(C(=O)O)c(C)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRB P28702 3/20 0.64
RXRA P19793 2/20 0.64
CYP1A1 P04798 2/20 0.50
CYP1B1 Q16678 2/20 0.50
CYP2C8 P10632 1/20 0.48
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MCL1 Q07820 1/20 0.47
RXRG P48443 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
USP2 O75604 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM1A O60341 2/20 0.45
ACLY P53396 1/20 0.45
GRIK1 P39086 1/20 0.45
SORT1 Q99523 1/20 0.45

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
SCHEMBL14089899 0.89 RXRB (0.79) RXRBRXRACYP2C8KDM4EALDH1A1
SCHEMBL424990 0.84 RXRB (0.70) RXRBRXRAKDM4EALDH1A1HPGD
SCHEMBL6488781 0.83 RXRA (0.54) RXRBRXRACYP2C8KDM4EALDH1A1
Hydrogen Sulfide SCHEMBL27780391 0.82 RXRB (0.68) RXRBRXRAKDM4EALDH1A1HPGD
SCHEMBL8840571 0.80 MCL1 (0.65) RXRBRXRAALDH1A1MCL1SMN1; SMN2
SCHEMBL23354125 0.80 RXRA (0.54) RXRBRXRACYP2C8KDM4EALDH1A1
SCHEMBL29978858 0.80 RXRA (0.54) RXRBRXRACYP2C8KDM4EALDH1A1
SCHEMBL6491531 0.80 CYP2C8 (0.56) RXRBRXRACYP2C8KDM4EALDH1A1
SCHEMBL30679777 0.80 CSNK2A1 (0.59) RXRBRXRAKDM4EALDH1A1MCL1
SCHEMBL107259 0.80 CSNK2A1 (0.59) RXRBRXRAKDM4EALDH1A1MCL1

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-1907860-B1 MASS LABELS ELECTROPHORETICS LTD (GB) 2010-11-17 EP disclosed
EP-1907860-A2 MASS LABELS Electrophoretics Limited (GB) 2008-04-09 EP disclosed
WO-2007012849-A2 MASS LABELS FOR BIOMOLECULES CONTAINING A 2,6-DIMETHYL-PIPERIDIN-l-YL METHYLENE OR A PYRIMIDIN-2-YL THIOMETHYLENE MASS MARKER MOIETY AND A SUCCINIMID-OXY-CARBONYL REACTIVE FUNCTIONAL GROUP ELECTROPHORETICS LIMITED (GB) 2007-02-01 WO disclosed
EP-1351936-A1 ARYL PIPERIDINE AND PIPERAZINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2003-10-15 EP disclosed
WO-2002055496-A1 ARYL PIPERIDINE AND PIPERAZINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2002-07-18 WO disclosed