SCHEMBL5334534

SCHEMBL5334534

C=C(CC#N)C(=O)NCC

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.57
ALDH1A1 P00352 3/20 0.35
TSHR P16473 1/20 0.35
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
GAA P10253 1/20 0.31
FTO Q9C0B1 1/20 0.31
KMT2A Q03164 1/20 0.30
CYP3A4 P08684 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
SCHEMBL13489954 0.78
SCHEMBL7936208 0.75
Ammonia Solution, Strong SCHEMBL5428819 0.73 MMP1 (0.36) MCL1ALDH1A1MMP1MMP2MMP3
SCHEMBL21450442 0.73
SCHEMBL215502 0.73
SCHEMBL14949 0.72
SCHEMBL20379699 0.71
SCHEMBL2811298 0.71 FAAH (0.40) MCL1ALDH1A1TSHRMMP1MMP2
SCHEMBL11012909 0.71
SCHEMBL3659435 0.71

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
WO-2007086882-A2 BIOLOGICAL POLYMER WITH DIFFERENTLY CHARGED PORTIONS TECHNOLOGY INNOVATIONS, LLC (US) 2007-08-02 WO disclosed
EP-1773417-A1 METHODS AND CROSSLINKED POLYMER COMPOSITIONS FOR CARTILAGE REPAIR Angiotech Pharmaceuticals (US), Inc. (US) 2007-04-18 EP disclosed
WO-2007041584-A2 IMPLANTABLE SENSORS, IMPLANTABLE PUMPS, AND ANTI-SCARRING DRUG COMBINATIONS COMBINATORX, INCORPORATED (US) 2007-04-12 WO disclosed
WO-2006002332-A1 METHODS AND CROSSLINKED POLYMER COMPOSITIONS FOR CARTILAGE REPAIR ANGIOTECH BIOMATERIALS CORPORATION (US) 2006-01-05 WO disclosed