SCHEMBL5584048

SCHEMBL5584048

C=CC(C(C)=O)C(=O)OC(=O)c1ccccc1C(=O)OC(=O)C(C=C)C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.46
TSHR P16473 8/20 0.42
ALDH1A1 P00352 8/20 0.42
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD17B10 Q99714 3/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 3/20 0.36
NPC1 O15118 1/20 0.35
CA2 P00918 1/20 0.35
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
CFTR P13569 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
SCHEMBL5584050 0.94 ALDH1A1 (0.43) CYP3A4TSHRALDH1A1TDP1HSD17B10
SCHEMBL4616489 0.75 TSHR (0.49) CYP3A4TSHRALDH1A1TDP1L3MBTL1
SCHEMBL28233583 0.72 TSHR (0.57) CYP3A4TSHRALDH1A1TDP1L3MBTL1
SCHEMBL11765420 0.72 TSHR (0.50) CYP3A4TSHRALDH1A1TDP1L3MBTL1
Acrylic Acid SCHEMBL26181040 0.70 CYP3A4 (0.46) CYP3A4TSHRALDH1A1TDP1L3MBTL1
SCHEMBL29907213 0.70 ALDH1A1 (0.47) TSHRALDH1A1TDP1HSD17B10LMNA
SCHEMBL30084385 0.69 TSHR (0.52) CYP3A4TSHRALDH1A1TDP1L3MBTL1
SCHEMBL2778 0.69 TSHR (0.52) CYP3A4TSHRALDH1A1TDP1L3MBTL1
SCHEMBL15656278 0.69 ALDH1A1 (0.53) CYP3A4TSHRALDH1A1TDP1L3MBTL1
SCHEMBL28113689 0.69 CYP3A4 (0.44) CYP3A4TSHRALDH1A1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070122480-A1 Sustained release formulations CJ CORPORATION (KR) 2007-05-31 US disclosed
EP-1673073-A1 SUSTAINED-RELEASE FORMULATIONS CJ Corporation (KR) 2006-06-28 EP disclosed
WO-2005030179-A1 SUSTAINED-RELEASE FORMULATIONS CJ CORPORATION (KR) 2005-04-07 WO disclosed