SCHEMBL6480100

SCHEMBL6480100

CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(C(=O)CC(=O)Nc2cc(C(=O)O)cc(C(=O)O)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.62
THRA P10827 1/20 0.58
THRB P10828 1/20 0.58
SOAT2 O75908 1/20 0.54
SOAT1 P35610 1/20 0.54
ALDH1A1 P00352 1/20 0.53
PSMB11 A5LHX3 1/20 0.53
PSMA7 O14818 1/20 0.53
PSMB1 P20618 1/20 0.53
PSMA1 P25786 1/20 0.53
PSMA2 P25787 1/20 0.53
PSMA3 P25788 1/20 0.53
PSMA4 P25789 1/20 0.53
PSMB8 P28062 1/20 0.53
PSMB9 P28065 1/20 0.53
PSMA5 P28066 1/20 0.53
PSMB4 P28070 1/20 0.53
PSMB6 P28072 1/20 0.53
PSMB5 P28074 1/20 0.53
PSMB10 P40306 1/20 0.53

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
SCHEMBL15020959 0.88 GAA (0.55) S1PR3SOAT2SOAT1ALDH1A1PSMB11
SCHEMBL12836916 0.88 GAA (0.55) S1PR3SOAT2SOAT1ALDH1A1PSMB11
SCHEMBL76386 0.85 ALDH1A1 (0.66) THRATHRBSOAT2SOAT1ALDH1A1
SCHEMBL7829195 0.85 ALDH1A1 (0.66) THRATHRBSOAT2SOAT1ALDH1A1
SCHEMBL9165207 0.85 SOAT2 (0.55) S1PR3SOAT2SOAT1ALDH1A1PSMB11
SCHEMBL5215426 0.85 ALDH1A1 (0.66) THRATHRBSOAT2SOAT1ALDH1A1
SCHEMBL21998908 0.85 SOAT2 (0.55) S1PR3SOAT2SOAT1ALDH1A1PSMB11
SCHEMBL21998909 0.85 ALDH1A1 (0.66) THRATHRBSOAT2SOAT1ALDH1A1
SCHEMBL21998926 0.85 SOAT2 (0.55) S1PR3SOAT2SOAT1ALDH1A1PSMB11
SCHEMBL7813320 0.85 ALDH1A1 (0.66) THRATHRBSOAT2SOAT1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0985538-B1 Ink jet printing process XEROX CORP (US) 2005-12-14 EP disclosed
US-6871945-B2 Ink jet printing process XEROX CORPORATION (US) 2005-03-29 US disclosed
US-20030160849-A1 Ink jet printing process XEROX CORPORATION 2003-08-28 US disclosed
US-6547380-B2 Ink jet printing process XEROX CORPORATION 2003-04-15 US disclosed
US-20010050700-A1 Ink jet printing process XEROX CORPORATION 2001-12-13 US disclosed
EP-0985538-A2 Ink jet printing process XEROX CORPORATION (US) 2000-03-15 EP disclosed