SCHEMBL15966508

SCHEMBL15966508

C=CCN1CC[C@H](NC(=O)OC)C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.35
MMP1 P03956 7/20 0.33
MMP3 P08254 7/20 0.33
NAAA Q02083 4/20 0.33
SRC P12931 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
APAF1 O14727 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL17596363 0.77 HDAC3 (0.36) MEN1LMNAMAPTKMT2AHDAC3
SCHEMBL5641213 0.74 SRC (0.43) MMP1MMP3SRCF10CCR2
SCHEMBL6224777 0.74 SRC (0.43) MMP1MMP3SRCF10CCR2
SCHEMBL15966510 0.74 HDAC1 (0.56) FPR2SRCKMT2AHDAC1HDAC8
SCHEMBL13464988 0.74 MMP1 (0.43) MMP1MMP3SRCF2F10
SCHEMBL9980205 0.71 ACE (0.51) MMP1MMP3F2F10PRSS1
SCHEMBL4594212 0.70 PIK3CD (0.55) MAPT
SCHEMBL1551140 0.70 CYP3A4 (0.35) MEN1MAPTKMT2AHDAC3HDAC4
SCHEMBL10264999 0.69 F2 (0.47) FPR2MEN1KMT2AF2F10
SCHEMBL8234664 0.69 F2 (0.50) FPR2MMP1MMP3F2F10

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-2957555-A1 METHOD FOR MODIFYING DERIVATIVES OF AMINO ACIDS AND PEPTIDES, COMPOUNDS PRODUCED, AND USE Consejo Superior De Investigaciones Científicas (CSIC) (ES) 2015-12-23 EP disclosed
EP-2957555-A1 METHOD FOR MODIFYING DERIVATIVES OF AMINO ACIDS AND PEPTIDES, COMPOUNDS PRODUCED, AND USE Consejo Superior De Investigaciones Científicas (CSIC) (ES) 2015-12-23 EP disclosed
WO-2014125145-A1 METHOD FOR MODIFYING DERIVATIVES OF AMINO ACIDS AND PEPTIDES, COMPOUNDS PRODUCED, AND USE CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2014-08-21 WO disclosed