SCHEMBL12955866

SCHEMBL12955866

CCCCCCNC(=O)CC[C@H](NC)C(=O)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CASP2 P42575 1/20 0.56
▸ NAAA Q02083 1/20 0.53
▸ FAAH O00519 3/20 0.46
▸ MMP2 P08253 2/20 0.46
▸ MMP9 P14780 2/20 0.46
▸ MMP8 P22894 2/20 0.46
▸ MMP12 P39900 2/20 0.46
▸ MMP14 P50281 2/20 0.46
▸ DNM1 Q05193 1/20 0.44
▸ EPHX1 P07099 4/20 0.44
▸ EPHX2 P34913 3/20 0.43
▸ SLC6A5 Q9Y345 1/20 0.43
▸ NOD1 Q9Y239 2/20 0.42

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
SCHEMBL23664521 0.88 CASP2 (0.47) CASP2NAAAFAAHDNM1EPHX2
SCHEMBL13461485 0.87 CASP2 (0.54) CASP2NAAAFAAHMMP2MMP9
SCHEMBL25715319 0.87 NOD1 (0.63) EPHX2SLC6A5NOD1
SCHEMBL21686255 0.87 NOD1 (0.63) EPHX2SLC6A5NOD1
SCHEMBL8210240 0.85 CASP2 (0.59) CASP2NAAAFAAHMMP2MMP9
SCHEMBL15783568 0.83 CASP2 (0.56) CASP2NAAAMMP2MMP9MMP8
Hydrochloric Acid SCHEMBL23834203 0.82 CASP2 (0.54) CASP2NAAAMMP2MMP9MMP8
SCHEMBL24119974 0.80 NOD1 (0.45) CASP2NAAAFAAHDNM1EPHX2
SCHEMBL23463505 0.79 ALDH1A1 (0.38) CASP2NAAANOD1
SCHEMBL26773565 0.79 NAMPT (0.41) CASP2NAAAFAAHDNM1NOD1

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-1578778-B1 GHRELIN ANALOGS IPSEN PHARMA (FR) 2011-01-26 — — EP disclosed
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