SCHEMBL7368704

SCHEMBL7368704

CCOC(=O)CCCCCOc1cccnc1NC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.46
LTA4H P09960 3/20 0.43
PPARG P37231 1/20 0.42
PPIA P62937 2/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
NAMPT P43490 1/20 0.40
F2RL3 Q96RI0 1/20 0.40

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
SCHEMBL8151298 0.82 LMNA (0.46) PPARGPPIAMAPTMAPK1
SCHEMBL7371527 0.82 TBXAS1 (0.47) TBXAS1LTA4HPPARGCYP4F2CYP4A11
SCHEMBL7369166 0.81 LTA4H (0.48) TBXAS1LTA4HPPARGCYP4F2CYP4A11
SCHEMBL7372937 0.78 ALDH1A1 (0.51) TBXAS1MAPTALDH1A1
SCHEMBL8158041 0.78 PPARG (0.58) LTA4HPPARGCYP4F2CYP4A11MAPT
SCHEMBL8161951 0.76 DHFR (0.51) TBXAS1LTA4HCYP4F2CYP4A11CYP1A2
SCHEMBL16147863 0.76 CYP4F2 (0.51) TBXAS1LTA4HPPARGCYP4F2CYP4A11
SCHEMBL29852682 0.75 TBXAS1 (0.46) TBXAS1LTA4HCYSLTR2CYSLTR1
SCHEMBL12610480 0.75 CNR1 (0.47) PPARGCYP4F2CYP4A11F2RL3
SCHEMBL3956764 0.75 PPARG (0.49) TBXAS1LTA4HPPARGCYP4F2CYP4A11

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