SCHEMBL7353073

SCHEMBL7353073

CCCC[C@@H](Br)C(=O)OCC

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.60
LCK P06239 1/20 0.50
PPARD Q03181 1/20 0.50
ZDHHC20 Q5W0Z9 1/20 0.50
ZDHHC2 Q9UIJ5 1/20 0.50
CA2 P00918 5/20 0.44
CA1 P00915 2/20 0.44
CYP3A4 P08684 3/20 0.43
TSHR P16473 2/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
FAAH O00519 1/20 0.40
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 6/20 0.39
TRPA1 O75762 1/20 0.38
LMNA P02545 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CPB2 Q96IY4 1/20 0.37

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
SCHEMBL27836648 1.00 ZDHHC7 (0.60) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL729131 1.00 ZDHHC7 (0.60) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL1566554 0.94 ZDHHC7 (0.69) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL8321622 0.92 ZDHHC7 (0.72) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL7789723 0.92 ZDHHC7 (0.72) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL5708286 0.92 ZDHHC7 (0.72) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL9548556 0.92 ZDHHC7 (0.72) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL4704070 0.92 ZDHHC7 (0.72) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL2721129 0.92 ZDHHC7 (0.72) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL1007430 0.92 ZDHHC7 (0.72) ZDHHC7LCKPPARDZDHHC20ZDHHC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5389647-A A prodrugs as hypotensive agents, treating congestive heart failure, urogenital disorders, vision defects ABBOTT LABORATORIES (US) 1995-02-14 US disclosed
US-5244910-A Treating hypertension, congestive heart failure ABBOTT LABORATORIES (US) 1993-09-14 US disclosed
EP-0543936-A4 RENIN INHIBITORS 1993-06-30 EP disclosed
EP-0543936-A1 RENIN INHIBITORS ABBOTT LABORATORIES (US) 1993-06-02 EP disclosed
WO-1992003429-A1 RENIN INHIBITORS ABBOTT LABORATORIES (US) 1992-03-05 WO disclosed