SCHEMBL8276017

SCHEMBL8276017

COC(=O)C[C@@H](O)C(=O)N1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.40
MMP2 P08253 1/20 0.40
MMP8 P22894 1/20 0.40
DPP7 Q9UHL4 3/20 0.36
DPP4 P27487 2/20 0.36
MMP3 P08254 1/20 0.35
MMP13 P45452 1/20 0.35
ADAM17 P78536 1/20 0.35
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GLA P06280 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL5413951 0.84 GLA (0.51) POLBALDH1A1ALOX15HTTSMN1; SMN2
SCHEMBL5413945 0.84 GLA (0.51) POLBALDH1A1ALOX15HTTSMN1; SMN2
SCHEMBL12721762 0.84 CA2 (0.36) MEN1KMT2A
SCHEMBL6344332 0.80 MMP1 (0.42) MMP1MMP2MMP8DPP7MMP3
SCHEMBL12524298 0.80 MMP1 (0.42) MMP1MMP2MMP8DPP7MMP3
SCHEMBL3067845 0.75 DPP7 (0.43) MMP1MMP2MMP8DPP7DPP4
SCHEMBL4616011 0.74 MMP1 (0.41) MMP1MMP2MMP8DPP7DPP4
SCHEMBL4618200 0.74 MMP1 (0.41) MMP1MMP2MMP8DPP7DPP4
SCHEMBL4560650 0.72 MMP1 (0.44) MMP1MMP2MMP8DPP7DPP4
SCHEMBL29039191 0.71 CYP1A2 (0.37) MMP1MMP2MMP8POLBMEN1

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
WO-2005121130-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2005-12-22 WO disclosed