SCHEMBL9123699

SCHEMBL9123699

O=C(NCCCCC(OP(=O)(O)CCCCc1ccccc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 4/20 0.51
▸ ACE P12821 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ MMP2 P08253 1/20 0.48
▸ MMP9 P14780 1/20 0.48
▸ MMP3 P08254 1/20 0.48
▸ TGM2 P21980 1/20 0.47
▸ DPP8 Q6V1X1 1/20 0.47
▸ DPP7 Q9UHL4 1/20 0.47

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
SCHEMBL9123690 1.00 FOLH1 (0.51) FOLH1ACEHTTMMP2MMP9
SCHEMBL10772948 0.92 CA1 (0.49) FOLH1ACEHTTMMP3TGM2
SCHEMBL10910712 0.88 PTGER4 (0.51) FOLH1MMP2MMP9MMP3
SCHEMBL10910064 0.83 ACE (0.49) ACE
SCHEMBL10910070 0.83 ACE (0.49) ACE
SCHEMBL10930131 0.82 MMP3 (0.60) FOLH1HTTMMP2MMP9MMP3
SCHEMBL10453110 0.82 ACE (0.73) ACE
SCHEMBL9353134 0.82 ACE (0.73) ACE
SCHEMBL9353151 0.81 ACE (0.43) ACEDPP8DPP7
SCHEMBL10910736 0.81 ACE (0.74) ACE

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
US-5436245-A Hypotensive agents E. R. SQUIBB & SONS, INC. (US) 1995-07-25 — — US disclosed
EP-0414190-A2 Phosphonate substituted amino or imino acids useful as antihypertensives E.R. SQUIBB & SONS, INC. (US) 1991-02-27 — — EP disclosed
US-4616005-A Phosphonyl hydroxyacyl amino acid derivatives as antihypertensives E. R. SQUIBB & SONS, INC. (US) 1986-10-07 — — US disclosed
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