SCHEMBL6663535

SCHEMBL6663535

CCCCCCCCC(=O)Nc1cccc(S(=O)(=O)O)c1OC(=O)CCCCC

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.49
SOAT1 P35610 2/20 0.48
EP300 Q09472 1/20 0.44
EPHX2 P34913 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
P2RX7 Q99572 1/20 0.41

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
SCHEMBL6142612 0.89 CETP (0.47) CETPSOAT1EP300EPHX2L3MBTL1
SCHEMBL31612639 0.82 CETP (0.62) CETPSOAT1EP300EPHX2HDAC3
SCHEMBL4138486 0.82 CETP (0.62) CETPSOAT1EP300EPHX2HDAC3
SCHEMBL10035669 0.82 CETP (0.62) CETPSOAT1EP300EPHX2HDAC3
SCHEMBL6676588 0.82 POLM (0.52)
SCHEMBL8653225 0.81 CETP (0.49) CETPSOAT1EP300EPHX2L3MBTL1
SCHEMBL8602877 0.81 CETP (0.49) CETPSOAT1EP300EPHX2L3MBTL1
SCHEMBL8578605 0.81 CETP (0.49) CETPSOAT1EP300EPHX2L3MBTL1
SCHEMBL29780051 0.81 CETP (0.59) CETPSOAT1EP300L3MBTL1POLB
SCHEMBL7115467 0.79 POLM (0.41) EPHX2TDP1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451281-A1 A SOFTENING ACTIVE COMPOSITION Akzo Nobel N.V. (NL) 2004-09-01 EP disclosed
WO-2003048287-A1 A SOFTENING ACTIVE COMPOSITION AKZO NOBEL N.V. (NL) 2003-06-12 WO disclosed
EP-1292566-A2 PROCESS FOR HYDROLYZING AMIDO-CARBOXYLIC ACID ESTERS INTO AMIDO-CARBOXYLIC ACIDS EASTMAN CHEMICAL COMPANY (US) 2003-03-19 EP disclosed
EP-1289932-A2 STABILIZATION OF AMIDO ACIDS WITH ANTIOXIDANTS EASTMAN CHEMICAL COMPANY (US) 2003-03-12 EP disclosed
EP-1289932-A2 STABILIZATION OF AMIDO ACIDS WITH ANTIOXIDANTS EASTMAN CHEMICAL COMPANY (US) 2003-03-12 EP disclosed
WO-2001092205-A3 STABILIZATION OF AMIDO ACIDS WITH ANTIOXIDANTS EASTMAN CHEM CO (US) 2002-07-25 WO disclosed
WO-2001092209-A2 PROCESS FOR HYDROLYZING AMIDO-CARBOXYLIC ACID ESTERS INTO AMIDO-CARBOXYLIC ACIDS EASTMAN CHEMICAL COMPANY (US) 2001-12-06 WO disclosed
WO-2001092205-A2 STABILIZATION OF AMIDO ACIDS WITH ANTIOXIDANTS EASTMAN CHEMICAL COMPANY (US) 2001-12-06 WO disclosed
WO-2001092205-A2 STABILIZATION OF AMIDO ACIDS WITH ANTIOXIDANTS EASTMAN CHEMICAL COMPANY (US) 2001-12-06 WO disclosed