SCHEMBL5086098

SCHEMBL5086098

CCCC(=CI)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 0.52
CES1 P23141 5/20 0.52
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ESR1 P03372 1/20 0.42
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
LMNA P02545 1/20 0.41
PTGS2 P35354 1/20 0.41
HDAC3 O15379 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
ALOX5 P09917 1/20 0.39
TP53 P04637 1/20 0.39
PTPN1 P18031 1/20 0.39
GSK3B P49841 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39

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
SCHEMBL7803886 0.83 CES2 (0.50) CES2CES1HPGDSMN1; SMN2L3MBTL1
SCHEMBL7803887 0.83 CES2 (0.50) CES2CES1HPGDSMN1; SMN2L3MBTL1
SCHEMBL16721092 0.80 PDPK1 (0.57) CES2CES1HPGDSMN1; SMN2L3MBTL1
SCHEMBL11323281 0.80 PDPK1 (0.57) CES2CES1HPGDSMN1; SMN2L3MBTL1
SCHEMBL16721081 0.80 PDPK1 (0.57) CES2CES1HPGDSMN1; SMN2L3MBTL1
SCHEMBL9310720 0.79 CES2 (0.47) CES2CES1HPGDSMN1; SMN2L3MBTL1
SCHEMBL4614904 0.78 MTNR1A (0.53) CES2CES1ESR1LMNAMTNR1A
SCHEMBL4614326 0.78 MTNR1A (0.53) CES2CES1ESR1LMNAMTNR1A
SCHEMBL9068456 0.78 CYP1A2 (0.47) CES2CES1HPGDSMN1; SMN2L3MBTL1
SCHEMBL18801487 0.78 CYP1A2 (0.47) CES2CES1HPGDSMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008031719-A1 UV-STABILIZERS FOR PLASTICS BASF SE (DE) 2008-03-20 WO disclosed