SCHEMBL7287463

SCHEMBL7287463

O=C(NN1CCOCC1)C(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.51
CDK5 Q00535 2/20 0.46
CDK5R1 Q15078 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CTSS P25774 2/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSK P43235 1/20 0.45
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
LIPE Q05469 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CCNA1 P78396 1/20 0.44
USP2 O75604 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL27563062 0.80 MMP8 (0.50) MMP8CDK5CDK5R1SMN1; SMN2MEN1
SCHEMBL2680002 0.80 CPA3 (0.55) MMP8MEN1KMT2AALDH1A1MAPT
SCHEMBL27563063 0.80 MMP8 (0.50) MMP8CDK5CDK5R1SMN1; SMN2MEN1
SCHEMBL7298618 0.80 KMT2A (0.58) CDK5CDK5R1SMN1; SMN2MEN1KMT2A
SCHEMBL27773554 0.79 MMP8 (0.49) MMP8CDK5CDK5R1SMN1; SMN2MEN1
SCHEMBL27923292 0.79 MMP8 (0.49) MMP8CDK5CDK5R1SMN1; SMN2MEN1
SCHEMBL7288147 0.78 CPA1 (0.53) MMP8SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL28006830 0.78 MMP8 (0.48) MMP8CDK5CDK5R1SMN1; SMN2MEN1
SCHEMBL6753268 0.77 KMT2A (0.55) MMP8SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL6753269 0.77 KMT2A (0.55) MMP8SMN1; SMN2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5346887-A Mixture of tripeptide renin inhibitor and steroid antiinflammatory agent ABBOTT LABORATORIES (US) 1994-09-13 US disclosed
US-5059589-A Glaucoma treatment ABBOTT LABORATORIES (US) 1991-10-22 US disclosed
US-5036051-A Renin inhibitors ABBOTT LABORATORIES (US) 1991-07-30 US disclosed
EP-0416393-A1 Peptidyl difluorodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed
EP-0258289-A4 PEPTIDE ANALOGS 1991-01-02 EP disclosed
WO-1989010751-A1 FUNCTIONALIZED PEPTIDYL AMINODIOLS AND -TRIOLS ABBOTT LABORATORIES (US) 1989-11-16 WO disclosed
EP-0341602-A2 Renin-inhibiting functionalized peptidyl aminodiols and - triols ABBOTT LABORATORIES (US) 1989-11-15 EP disclosed
EP-0311012-A2 Glaucoma treatment ABBOTT LABORATORIES (US) 1989-04-12 EP disclosed
EP-0307837-A2 Renin-inhibiting peptidyl heterocycles ABBOTT LABORATORIES (US) 1989-03-22 EP disclosed
EP-0258289-A1 PEPTIDE ANALOGS ABBOTT LABORATORIES (US) 1988-03-09 EP disclosed
WO-1987004349-A1 PEPTIDE ANALOGS DELLARIA JOSEPH 1987-07-30 WO disclosed