SCHEMBL7369994

SCHEMBL7369994

CCOC(=O)CCCON=Cc1ccccc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.44
CYP4A11 Q02928 2/20 0.44
TBXAS1 P24557 3/20 0.43
USP2 O75604 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 2/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
DHFR P00374 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP4Z1 Q86W10 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
LTA4H P09960 1/20 0.38
NAMPT P43490 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
ALOX5 P09917 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL7373216 0.81 KMT2A (0.53) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7370181 0.79 L3MBTL1 (0.38) CYP4F2CYP4A11TBXAS1USP2ALDH1A1
SCHEMBL2987183 0.74 CYP1A2 (0.58) CYP4F2CYP4A11USP2ALDH1A1HSD17B10
SCHEMBL10553698 0.74 ALDH1A1 (0.37) CYP4F2CYP4A11TBXAS1ALDH1A1HSD17B10
SCHEMBL7377419 0.72 SNCA (0.51) ALDH1A1HDAC1SMN1; SMN2
SCHEMBL377458 0.72 CYP4F2 (0.55) CYP4F2CYP4A11TBXAS1USP2ALDH1A1
SCHEMBL27567553 0.72 CYP4F2 (0.71) CYP4F2CYP4A11TBXAS1ALDH1A1HSD17B10
SCHEMBL17471290 0.71 USP2 (0.72) CYP4F2CYP4A11TBXAS1USP2ALDH1A1
SCHEMBL2903656 0.70 ALDH1A1 (0.57) CYP4F2CYP4A11USP2ALDH1A1CYSLTR2
SCHEMBL9713399 0.70 CYP4F2 (0.69) CYP4F2CYP4A11TBXAS1ALDH1A1HSD17B10

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 3 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
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 WO disclosed