SCHEMBL5705199

SCHEMBL5705199

CCCCCCCCSCc1cc(CC)c(O)c(CSCCCCCCCC)c1.CCCCCCCCSCc1cccc(C)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
TYR P14679 1/20 0.36
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
EGFR P00533 1/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
SOAT2 O75908 1/20 0.33
ACAT1 P24752 1/20 0.33
SOAT1 P35610 1/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 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
SCHEMBL7170978 0.89 TYR (0.39) TYRESR1ESR2MAPTSOAT2
SCHEMBL27839580 0.87 EGFR (0.40) CYSLTR2CYSLTR1TYRESR1ESR2
SCHEMBL39524 0.87 TYR (0.43) TYRESR1ESR2MAPT
SCHEMBL30865024 0.87 EGFR (0.40) CYSLTR2CYSLTR1TYRESR1ESR2
SCHEMBL2554415 0.87 EGFR (0.40) CYSLTR2CYSLTR1TYRESR1ESR2
SCHEMBL227298 0.87 EGFR (0.40) CYSLTR2CYSLTR1TYRESR1ESR2
SCHEMBL27839575 0.86 EGFR (0.41) GABRA1GABRB2CYSLTR2CYSLTR1TYR
SCHEMBL20313357 0.85 TYR (0.42) TYRESR1ESR2MAPTSOAT2
SCHEMBL10000645 0.85 TYR (0.42) TYRESR1ESR2MAPTSOAT2
SCHEMBL29002021 0.83 TYR (0.38) TYRESR1ESR2CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1692212-A1 METHOD FOR MIXING POLYMER MELTS WITH ADDITIVES Bayer MaterialScience AG (DE) 2006-08-23 EP disclosed
WO-2005054343-A1 METHOD FOR MIXING POLYMER MELTS WITH ADDITIVES BAYER MATERIALSCIENCE AG (DE) 2005-06-16 WO disclosed