SCHEMBL7369617

SCHEMBL7369617

CCOC(=O)CCCCCOc1ncccc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.47
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 3/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
CYSLTR2 Q9NS75 2/20 0.42
CYSLTR1 Q9Y271 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
CYP1A2 P05177 1/20 0.41
CHRM1 P11229 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
LMNA P02545 1/20 0.40
LTA4H P09960 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL16147216 0.82 TBXAS1 (0.46) TBXAS1ALDH1A1HSD17B10CYP4F2CYP4A11
SCHEMBL6635706 0.82 KDM4E (0.46) TBXAS1ALDH1A1HSD17B10KDM4ETSHR
SCHEMBL7371527 0.82 TBXAS1 (0.47) TBXAS1CYP4F2CYP4A11CYSLTR2CYSLTR1
SCHEMBL7374705 0.80 LMNA (0.49) TBXAS1ALDH1A1HSD17B10KDM4ETDP1
SCHEMBL28696981 0.80 KMT2A (0.39) ALDH1A1HSD17B10KDM4EPOLBCYP3A4
SCHEMBL7378158 0.79 TBXAS1 (0.41) TBXAS1ALDH1A1CYP4F2CYP4A11CYSLTR2
SCHEMBL20477208 0.78 CYP4F2 (0.48) TBXAS1ALDH1A1HSD17B10CYP4F2CYP4A11
SCHEMBL27795170 0.78 ALDH1A1 (0.49) ALDH1A1HSD17B10KDM4EPOLBCYP3A4
SCHEMBL16147506 0.77 CYP4F2 (0.43) TBXAS1ALDH1A1HSD17B10CYP4F2CYP4A11
SCHEMBL7587819 0.76 GRM4 (0.44) ALDH1A1HSD17B10KDM4ETDP1PPARG

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