SCHEMBL7604527

SCHEMBL7604527

CCOC(=O)CCCc1cccc(OC[C@H]2CO2)c1C#N

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.43
CYP4F2 P78329 2/20 0.43
CYP4A11 Q02928 2/20 0.43
ALDH1A1 P00352 2/20 0.42
GLA P06280 1/20 0.42
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DRD2 P14416 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 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
SCHEMBL7604523 1.00 MGLL (0.43) MGLLCYP4F2CYP4A11ALDH1A1GLA
SCHEMBL7580544 0.78 CYP4F2 (0.54) CYP4F2CYP4A11ALDH1A1GLACYP1A2
SCHEMBL7607076 0.77 CYP4F2 (0.52) CYP4F2CYP4A11ALDH1A1GLACYP1A2
SCHEMBL7604097 0.77 MGLL (0.48) MGLLCYP2D6
SCHEMBL7604752 0.77 MGLL (0.48) MGLLCYP2D6
SCHEMBL7604094 0.77 MGLL (0.48) MGLLCYP2D6
SCHEMBL7604748 0.77 MGLL (0.48) MGLLCYP2D6
SCHEMBL14421448 0.74 ALDH1A1 (0.50) ALDH1A1GLACYP1A2CYP3A4SMN1; SMN2
SCHEMBL11868154 0.74 ALDH1A1 (0.66) ALDH1A1GLACYP1A2CYP3A4CYP2C19
SCHEMBL11023146 0.73 MGLL (0.59) MGLLCYP4F2CYP4A11ALDH1A1CYP1A2

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-6395919-B1 Calcilytic compounds SMITHKLINE BEECHAM CORPORATION 2002-05-28 US disclosed
EP-1070048-A4 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2001-11-07 EP disclosed
EP-1070048-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2001-01-24 EP disclosed
WO-1999051569-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1999-10-14 WO disclosed