SCHEMBL4732199

SCHEMBL4732199

CCCCOOOC(=O)C(=CC(=O)O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 2/20 0.41
LMNA P02545 1/20 0.40
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39
TSHR P16473 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
KAT6A Q92794 1/20 0.36
NAAA Q02083 1/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL899627 0.79 LMNA (0.54) LMNACES2CES1TSHRL3MBTL1
SCHEMBL4733260 0.77 CCNE2 (0.39) PLA2G4ATDP1ALDH1A1
SCHEMBL4734884 0.75 HCAR2 (0.38) TSHRNAAAALDH1A1
SCHEMBL8985110 0.75 LMNA (0.53) LMNACES2CES1TSHRL3MBTL1
SCHEMBL3482698 0.74 ALDH1A1 (0.54) LMNAL3MBTL1TDP1KDM4EALDH1A1
SCHEMBL6394012 0.74 ALDH1A1 (0.54) LMNAL3MBTL1TDP1KDM4EALDH1A1
SCHEMBL11274535 0.74 ALDH1A1 (0.54) LMNAL3MBTL1TDP1KDM4EALDH1A1
SCHEMBL4733824 0.74 TDP1 (0.51) LMNACES1TSHRL3MBTL1TDP1
SCHEMBL1581592 0.74 LMNA (0.51) LMNACES2CES1TSHRTDP1
SCHEMBL27904265 0.73 CES2 (0.53) LMNACES2CES1TSHRL3MBTL1

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-2008057705-A1 FOAMED PLASTIC STRUCTURES NOVA CHEMICALS INC. (US) 2008-05-15 WO claimed