SCHEMBL7369166

SCHEMBL7369166

CCOC(=O)CCCCCOc1ccccc1NC

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.48
PPARG P37231 1/20 0.47
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
GAA P10253 1/20 0.47
ALDH1A1 P00352 1/20 0.46
NAMPT P43490 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
THRB P10828 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 1/20 0.43
TBXAS1 P24557 2/20 0.43

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
SCHEMBL9033779 0.94 GAA (0.49) LTA4HCYP4F2CYP4A11GAAALDH1A1
SCHEMBL8158041 0.83 PPARG (0.58) LTA4HPPARGCYP4F2CYP4A11ALDH1A1
SCHEMBL7379162 0.82 GAA (0.46) PPARGCYP4F2CYP4A11GAAALDH1A1
SCHEMBL16147863 0.82 CYP4F2 (0.51) LTA4HPPARGCYP4F2CYP4A11ALDH1A1
SCHEMBL6594125 0.81 MAPT (0.51) LTA4HPPARGGAATDP1THRB
SCHEMBL8159189 0.81 GAA (0.58) PPARGGAAALDH1A1TDP1L3MBTL1
SCHEMBL3956777 0.81 PPARG (0.49) LTA4HPPARGCYP4F2CYP4A11ALDH1A1
SCHEMBL3956764 0.81 PPARG (0.49) LTA4HPPARGCYP4F2CYP4A11ALDH1A1
SCHEMBL14298119 0.81 L3MBTL1 (0.60) PPARGCYP4F2CYP4A11ALDH1A1TDP1
SCHEMBL7368704 0.81 TBXAS1 (0.46) LTA4HPPARGCYP4F2CYP4A11ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6211242-B1 CARDIOVASCULAR DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-03 US disclosed
EP-0757670-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 1999-01-13 EP disclosed
EP-0757670-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 EP disclosed
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 WO disclosed