SCHEMBL9876572

SCHEMBL9876572

C=C(C)C[C@H](C[C@H](O)[C@@H](N)CC1CCCCC1)C(=O)NC

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.49
METAP2 P50579 5/20 0.41
METAP1 P53582 4/20 0.41
CCR1 P32246 4/20 0.38
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP14 P50281 1/20 0.35
LTA4H P09960 1/20 0.34

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
SCHEMBL27673744 1.00 REN (0.49) RENMETAP2METAP1CCR1ALDH1A1
SCHEMBL4066470 0.89 REN (0.48) RENMETAP2METAP1CCR1ALDH1A1
SCHEMBL4061718 0.89 REN (0.48) RENMETAP2METAP1CCR1ALDH1A1
SCHEMBL4065186 0.87 REN (0.55) RENMETAP2METAP1CCR1ALDH1A1
Hydrochloric Acid SCHEMBL7360375 0.86 REN (0.54) RENMETAP2METAP1CCR1ALDH1A1
Hydrochloric Acid SCHEMBL10676905 0.86 REN (0.54) RENMETAP2METAP1CCR1ALDH1A1
Hydrochloric Acid SCHEMBL27673691 0.86 REN (0.54) RENMETAP2METAP1CCR1ALDH1A1
SCHEMBL7367047 0.84 REN (0.55) RENMETAP2METAP1CCR1ALDH1A1
Hydrochloric Acid SCHEMBL9876283 0.82 REN (0.54) RENMETAP2METAP1CCR1ALDH1A1
Hydrochloric Acid SCHEMBL27692376 0.82 REN (0.54) RENMETAP2METAP1CCR1ALDH1A1

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-4992562-A Renin inhibitors containing 5-amino-2,5-disubstituted-4-hydroxypentanoic acid residues PFIZER INC. (US) 1991-02-12 US disclosed
US-4948913-A Renin inhibitors containing 5-amino-2,5-disubstituted-4-hydroxypentanoic acid residues PFIZER INC. (US) 1990-08-14 US disclosed
US-4729985-A Renin inhibitors containing 5-amino-2,5-disubstituted-4-hydroxypentanoic acid residues PFIZER INC. (US) 1988-03-08 US disclosed