SCHEMBL9250249

SCHEMBL9250249

C[C@H](NC(CCc1ccccc1)C(=O)O)C(=O)C1NC(C(=O)O)CC2CCCCC21

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 12/20 0.58
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CYP3A4 P08684 1/20 0.45
▸ ALOX15 P16050 1/20 0.45

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
SCHEMBL9252296 0.91 ACE (0.59) ACEMEN1KMT2AUSP2LMNA
SCHEMBL9254552 0.89 ACE (0.51) ACEMEN1KMT2AUSP2LMNA
SCHEMBL9256899 0.84 ACE (0.42) ACEMEN1KMT2AUSP2LMNA
SCHEMBL9250644 0.81 ACE (0.46) ACEMEN1KMT2AUSP2LMNA
SCHEMBL9259678 0.81 ACE (0.46) ACEMEN1KMT2AUSP2LMNA
SCHEMBL9251897 0.80 ACE (0.47) ACEMEN1KMT2AUSP2LMNA
SCHEMBL9255126 0.79 ACE (0.46) ACEMEN1KMT2AUSP2LMNA
SCHEMBL11021440 0.79 ACE (0.55) ACEMEN1KMT2AUSP2LMNA
SCHEMBL10700347 0.79 ACE (0.55) ACEMEN1KMT2AUSP2LMNA
SCHEMBL9257149 0.79 ACE (0.45) ACEMEN1KMT2AUSP2LMNA

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-5401766-A Hypotensive agents with vasodilation HOECHST AKTIENGESELLSCHAFT (DE) 1995-03-28 — — US disclosed
US-5162362-A Hypotensive agents HOECHST AKTIENGESELLSCHAFT (DE) 1992-11-10 — — US disclosed
US-5158959-A Treatment of hypertension HOECHST AKTIENGESELLSCHAFT (DE) 1992-10-27 — — US disclosed
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