SCHEMBL9254552

SCHEMBL9254552

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

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 10/20 0.51
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ REN P00797 1/20 0.39

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
SCHEMBL9250249 0.89 ACE (0.58) ACEMEN1KMT2AUSP2LMNA
SCHEMBL9259213 0.86 ACE (0.37) ACEMEN1KMT2AUSP2LMNA
SCHEMBL9252296 0.82 ACE (0.59) ACEMEN1KMT2AUSP2LMNA
SCHEMBL9259207 0.81 CYP1A2 (0.42) CYP3A4
SCHEMBL9739401 0.77 ACE (0.49) ACE
SCHEMBL9250708 0.76 TSHR (0.47) KMT2A
SCHEMBL10700347 0.76 ACE (0.55) ACEMEN1KMT2AUSP2LMNA
SCHEMBL11021440 0.76 ACE (0.55) ACEMEN1KMT2AUSP2LMNA
SCHEMBL9254110 0.75 L3MBTL1 (0.31) —
SCHEMBL9254116 0.75 L3MBTL1 (0.31) —

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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