SCHEMBL9367708

SCHEMBL9367708

CC(C)(C)OC(=O)C(CCCCCCCCBr)CC1(C(=O)O)CCCC1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.32
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL9469991 0.84 MEN1 (0.33) MMEMEN1GAAKMT2ACYP2C19
SCHEMBL5702723 0.82 MME (0.41) MMEMEN1GAAKMT2ACYP2C19
SCHEMBL5702726 0.82 MME (0.41) MMEMEN1GAAKMT2ACYP2C19
SCHEMBL9337097 0.81 CYP2C19 (0.36) MMECYP2C19
SCHEMBL9341047 0.81 CYP2C19 (0.36) MMECYP2C19
SCHEMBL7368344 0.81 CYP2C19 (0.36) MMECYP2C19
SCHEMBL7296981 0.80 CYP2C19 (0.35) MMECYP2C19
SCHEMBL9363228 0.80 MME (0.33) MMECYP2C19
SCHEMBL9367713 0.79
SCHEMBL7131535 0.79 MME (0.37) MMECYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0594588-A1 CYCLOALKYL-SUBSTITUTED GLUTARAMIDE ANTIHYPERTENSIVE AGENTS Pfizer Limited (GB) 1994-05-04 EP disclosed
WO-1991013054-A1 CYCLOALKYL-SUBSTITUTED GLUTARAMIDE ANTIHYPERTENSIVE AGENTS PFIZER LIMITED (GB) 1991-09-05 WO disclosed