SCHEMBL9732240

SCHEMBL9732240

C[C@H](NC(=O)OCc1ccccc1)C(=O)N1[C@H](C(=O)OC(C)(C)C)C[C@H]2CCCC[C@@H]21

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
USP2 O75604 1/20 0.51
LMNA P02545 1/20 0.51
PREP P48147 2/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
CTSL P07711 1/20 0.49
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45
CASP1 P29466 2/20 0.45
CYP1A2 P05177 1/20 0.44
SYK P43405 1/20 0.43
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
SCHEMBL9256682 0.94 CTSL (0.54) ACEMEN1KMT2AUSP2LMNA
SCHEMBL9592654 0.92 CTSL (0.54) ACEMEN1KMT2AUSP2LMNA
SCHEMBL9773233 0.92 CTSL (0.54) ACEMEN1KMT2AUSP2LMNA
SCHEMBL10077634 0.90 CTSL (0.47) ACEMEN1KMT2AUSP2LMNA
SCHEMBL3051377 0.90 CTSL (0.47) ACEMEN1KMT2AUSP2LMNA
SCHEMBL9175234 0.89 ACE (0.60) ACEMEN1KMT2AUSP2LMNA
SCHEMBL9176326 0.89 ACE (0.60) ACEMEN1KMT2AUSP2LMNA
SCHEMBL9170201 0.89 ACE (0.64) ACEMEN1KMT2AUSP2LMNA
SCHEMBL9170195 0.89 ACE (0.64) ACEMEN1KMT2AUSP2LMNA
SCHEMBL9439136 0.89 ACE (0.64) 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-5101039-A Carboxyindoles, hypotensive agents, inhibitors of angiotensin converting enzyme HOECHST AKTIENGESELLSCHAFT (DE) 1992-03-31 US disclosed
US-5008400-A Chemical intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1991-04-16 US disclosed
US-4933361-A HYPOTENSIVE AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1990-06-12 US disclosed