SCHEMBL13345992

SCHEMBL13345992

CCCCOC(=O)C(CC(CC(C)(C)C(=O)O)C(=O)OCCCCCC(=O)O)CC(C)(C)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.39
ALDH1A1 P00352 3/20 0.38
GPR84 Q9NQS5 7/20 0.37
PPARG P37231 7/20 0.37
PPARD Q03181 7/20 0.37
PPARA Q07869 7/20 0.37
HDAC11 Q96DB2 5/20 0.37
TSHR P16473 4/20 0.37
PTPN1 P18031 3/20 0.37
TLR2 O60603 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
FABP4 P15090 2/20 0.37
KMT2A Q03164 2/20 0.37
FFAR4 Q5NUL3 2/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
SLC22A8 Q8TCC7 1/20 0.37
MEN1 O00255 1/20 0.37
ESR1 P03372 1/20 0.37
ALOX15 P16050 1/20 0.37
PDE4A P27815 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
SCHEMBL13345989 0.87 FFAR4 (0.38) EPHX2ALDH1A1GPR84PPARGPPARD
SCHEMBL13196729 0.76 CA1 (0.38) ALDH1A1TSHRESR1MAPT
SCHEMBL13345987 0.74 ALDH1A1 (0.44) EPHX2ALDH1A1GPR84PPARGPPARD
Palmitic Acid SCHEMBL7262818 0.73 FFAR4 (0.59) EPHX2ALDH1A1GPR84PPARGPPARD
SCHEMBL6151233 0.73 FFAR4 (0.59) EPHX2ALDH1A1GPR84PPARGPPARD
SCHEMBL23532301 0.73 FFAR4 (0.59) EPHX2ALDH1A1GPR84PPARGPPARD
SCHEMBL18148741 0.73 FFAR4 (0.59) EPHX2ALDH1A1GPR84PPARGPPARD
Behenic Acid SCHEMBL8002723 0.73 FFAR4 (0.59) EPHX2ALDH1A1GPR84PPARGPPARD
SCHEMBL20952563 0.73 FFAR4 (0.59) EPHX2ALDH1A1GPR84PPARGPPARD
SCHEMBL2921584 0.73 FFAR4 (0.59) EPHX2ALDH1A1GPR84PPARGPPARD

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
US-20100130630-A1 PROCESS FOR PREPARING A TRIBLOCK COPOLYMER COMPRISING A SEMI-CRYSTALLINE AND/OR HYDROLYSABLE BLOCK, AN ELASTOMERIC BLOCK AND AN AMORPHOUS BLOCK ARKEMA FRANCE (FR) 2010-05-27 US disclosed