SCHEMBL4732201

SCHEMBL4732201

CCCCOOC(C(=O)O)=C(C(=O)O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
TSHR P16473 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
NAAA Q02083 1/20 0.39
TP53 P04637 1/20 0.39
NR1H4 Q96RI1 2/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
THRB P10828 1/20 0.38
PLA2G4B P0C869 1/20 0.38

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
SCHEMBL4732195 1.00 LMNA (0.42) LMNACES2CES1TSHRL3MBTL1
SCHEMBL4733264 0.86 SMN1; SMN2 (0.41) LMNATDP1HPGDRAB9ANR1H4
SCHEMBL4733257 0.86 SMN1; SMN2 (0.41) LMNATDP1HPGDRAB9ANR1H4
SCHEMBL27904265 0.80 CES2 (0.53) LMNACES2CES1TSHRL3MBTL1
SCHEMBL98564 0.79 LMNA (0.58) LMNACES2CES1TSHRL3MBTL1
SCHEMBL2515769 0.78 LMNA (0.56) LMNACES2CES1TSHRL3MBTL1
Benzoyl Peroxide SCHEMBL10537673 0.78 LMNA (0.59) LMNACES2CES1TSHRL3MBTL1
SCHEMBL28161778 0.76 LMNA (0.54) LMNACES2CES1TSHRL3MBTL1
Benzoic Acid SCHEMBL1411636 0.75 TSHR (0.59) LMNACES2CES1TSHRL3MBTL1
Benzoic Acid SCHEMBL9668494 0.75 LMNA (0.53) LMNATSHRL3MBTL1TDP1TP53

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