SCHEMBL11201637

SCHEMBL11201637

COC(=O)[C@H](CC(C)C)N(C(=O)[C@@H](N)Cc1ccccc1)P(C)(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.45
MMP3 P08254 3/20 0.45
ANPEP P15144 3/20 0.43
LTA4H P09960 1/20 0.43
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
LAP3 P28838 1/20 0.41
MMP2 P08253 1/20 0.41
MMP7 P09237 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
RNPEP Q9H4A4 2/20 0.40
DNPEP Q9ULA0 2/20 0.40
GPR88 Q9GZN0 1/20 0.40
ALDH1A1 P00352 1/20 0.40
THRB P10828 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL11201386 0.92 CTSB (0.43) MMP1MMP3ANPEPLTA4HLAP3
SCHEMBL11199575 0.91 LTA4H (0.45) MMP1MMP3ANPEPLTA4HLAP3
SCHEMBL8966089 0.83 ANPEP (0.49) ANPEPLTA4HCA12CA2CA7
SCHEMBL8966102 0.83 ANPEP (0.49) ANPEPLTA4HCA12CA2CA7
SCHEMBL7268410 0.75 LTA4H (0.44) MMP1MMP3ANPEPLTA4HRNPEP
SCHEMBL7360135 0.74 MMP1 (0.73) MMP1MMP3CA12CA2CA7
SCHEMBL5492848 0.74 LTA4H (0.50) ANPEPLTA4HCA12CA2CA7
SCHEMBL28221965 0.74 ANPEP (0.47) ANPEPLTA4HCA12CA2CA7
Phenylalanine Methyl Ester SCHEMBL6748761 0.72 SLC7A5 (0.58) ANPEPLTA4HCA12CA2CA7
Phenylalanine Methyl Ester SCHEMBL9355479 0.71 LAP3 (0.58) ANPEPLTA4HLAP3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0075895-A2 Pharmaceutical amides, and preparation, formulations and use thereof THE WELLCOME FOUNDATION LIMITED (GB) 1983-04-06 EP disclosed