SCHEMBL9256682

SCHEMBL9256682

C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C(C(=O)OCc2ccccc2)CC2CCCCC21

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.54
ACE P12821 7/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
USP2 O75604 1/20 0.52
LMNA P02545 1/20 0.52
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
PREP P48147 2/20 0.46
FKBP1A P62942 4/20 0.45
ELANE P08246 1/20 0.42

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
SCHEMBL9592654 0.98 CTSL (0.54) CTSLACEMEN1KMT2AUSP2
SCHEMBL9773233 0.98 CTSL (0.54) CTSLACEMEN1KMT2AUSP2
SCHEMBL9732240 0.94 ACE (0.51) CTSLACEMEN1KMT2AUSP2
SCHEMBL9175234 0.88 ACE (0.60) ACEMEN1KMT2AUSP2LMNA
SCHEMBL9176326 0.88 ACE (0.60) ACEMEN1KMT2AUSP2LMNA
SCHEMBL9170195 0.85 ACE (0.64) ACEMEN1KMT2AUSP2LMNA
SCHEMBL9170201 0.85 ACE (0.64) ACEMEN1KMT2AUSP2LMNA
SCHEMBL9439136 0.85 ACE (0.64) ACEMEN1KMT2AUSP2LMNA
SCHEMBL10607382 0.85 CTSL (0.49) CTSLACEMEN1KMT2AUSP2
SCHEMBL4404273 0.85 ACE (0.53) CTSLACEMEN1KMT2AUSP2

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