SCHEMBL4339878

SCHEMBL4339878

NC(=O)OO.O=C(O)CCCCCOON1C(=O)c2ccccc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 1/20 0.38
FABP4 P15090 2/20 0.38
PPARA Q07869 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
GLA P06280 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
ALOX12 P18054 1/20 0.37
NFKB1 P19838 1/20 0.37
APEX1 P27695 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL1532004 0.92 PPARG (0.45) PPARGALDH1A1HPGDL3MBTL1SMN1; SMN2
SCHEMBL26480 0.92 PPARG (0.45) PPARGALDH1A1HPGDL3MBTL1SMN1; SMN2
SCHEMBL1532120 0.91 PPARG (0.46) PPARGALDH1A1HPGDL3MBTL1SMN1; SMN2
SCHEMBL1531985 0.87 PPARG (0.50) PPARGALDH1A1HPGDL3MBTL1SMN1; SMN2
SCHEMBL8980779 0.81 ALDH1A1 (0.50) PPARGALDH1A1HPGDSMN1; SMN2CYP1A2
SCHEMBL14237665 0.78 GAA (0.56) PPARGALDH1A1HPGDL3MBTL1SMN1; SMN2
SCHEMBL16456622 0.77 ASAH1 (0.44) ALDH1A1SMN1; SMN2KDM4EPOLBHSD17B10
SCHEMBL3036205 0.76 CHRM2 (0.41) ALDH1A1SMN1; SMN2CYP1A2CYP3A4MAPK1
SCHEMBL16456623 0.76 ASAH1 (0.43) ALDH1A1L3MBTL1SMN1; SMN2KDM4E
Hexanoate SCHEMBL27567437 0.74 AKR1B1 (0.48) PPARGALDH1A1CYP1A2CYP2C9FABP4

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-1633468-B2 LIQUID WASHING OR CLEANING AGENT COMPOSITIONS COMPRISING PERCARBOXYLIC ACID-BASED CAPSULES HAVING A LONG SHELF LIFE HENKEL AG & CO KGAA (DE) 2016-10-19 EP claimed
EP-1633468-B1 PERCARBOXYLIC ACID-BASED CAPSULES HAVING A LONG SHELF LIFE HENKEL AG & CO KGAA (DE) 2009-01-14 EP claimed