SCHEMBL4774415

SCHEMBL4774415

[CH2]CC(C(=O)OC)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.38
CA14 Q9ULX7 2/20 0.38
DGAT1 O75907 1/20 0.38
CA2 P00918 3/20 0.33
CA1 P00915 2/20 0.33
CA7 P43166 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
APLNR P35414 1/20 0.32
ITGA4 P13612 1/20 0.31
ITGB7 P26010 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CTSK P43235 2/20 0.30
MME P08473 1/20 0.30
LMNA P02545 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL168284 0.85 SMN1; SMN2 (0.42) CA12CA14CA2CA1KMT2A
SCHEMBL3738506 0.82 DGAT1 (0.39) CA12CA14DGAT1CA2CA1
SCHEMBL1794611 0.82 DGAT1 (0.39) CA12CA14DGAT1CA2CA1
SCHEMBL1794608 0.82 DGAT1 (0.39) CA12CA14DGAT1CA2CA1
SCHEMBL4477961 0.82 CA1 (0.42) CA12CA14DGAT1CA2CA1
SCHEMBL3693114 0.80 CA12 (0.38) CA12CA14DGAT1CA2CA1
SCHEMBL3693112 0.80 CA12 (0.38) CA12CA14DGAT1CA2CA1
Ammonia Solution, Strong SCHEMBL28795834 0.80 CA12 (0.38) CA12CA14DGAT1CA2CA1
Ammonia Solution, Strong SCHEMBL27983360 0.80 CA12 (0.38) CA12CA14DGAT1CA2CA1
SCHEMBL20241539 0.79 CA12 (0.35) CA12CA14DGAT1CA2CA1

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
EP-1572678-A4 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARM INC (US) 2008-05-07 EP claimed
EP-1572678-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-09-14 EP claimed
WO-2004056319-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS INC. (US) 2004-07-08 WO claimed