SCHEMBL7317522

SCHEMBL7317522

C[C@H](NC(Cc1ccccc1)C(=O)N1CCOCC1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.57
REN P00797 4/20 0.56
TSHR P16473 1/20 0.53
MMP1 P03956 1/20 0.50
MMP3 P08254 1/20 0.50
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 2/20 0.48
ALOX15 P16050 1/20 0.48
CTSS P25774 2/20 0.47
CTSB P07858 1/20 0.47
FKBP1A P62942 1/20 0.46

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
SCHEMBL7317525 1.00 MMP8 (0.57) MMP8RENTSHRMMP1MMP3
SCHEMBL7325333 1.00 MMP8 (0.57) MMP8RENTSHRMMP1MMP3
SCHEMBL7389781 0.90 MMP8 (0.55) MMP8RENTSHRMMP1MMP3
SCHEMBL7319235 0.90 MMP8 (0.55) MMP8RENTSHRMMP1MMP3
SCHEMBL18435192 0.90 MMP8 (0.60) MMP8RENTSHRMMP1MMP3
SCHEMBL16252288 0.90 MMP8 (0.60) MMP8RENTSHRMMP1MMP3
SCHEMBL20176845 0.84 MMP8 (0.62) MMP8TSHRMMP1MMP3ALDH1A1
SCHEMBL16254296 0.84 MMP8 (0.62) MMP8TSHRMMP1MMP3ALDH1A1
SCHEMBL7389855 0.82 REN (0.54) MMP8RENTSHRMMP1MMP3
SCHEMBL22415331 0.80 HSD17B10 (0.71) MMP8TSHRALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5268374-A Containing both amide and hydroxy groups ABBOTT LABORATORIES (US) 1993-12-07 US disclosed
EP-0437508-A1 NON-PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1991-07-24 EP disclosed
EP-0364804-A1 Non-peptide renin inhibitors ABBOTT LABORATORIES (US) 1990-04-25 EP disclosed
WO-1990003971-A1 NON-PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-04-19 WO disclosed