SCHEMBL9733291

SCHEMBL9733291

CCOC(=O)[C@H](CCc1ccccc1)N1[C@H]2CCCC[C@H]2C[C@]1(C(=O)OCc1ccccc1)C(=O)C(C)N

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 10/20 0.45
LMNA P02545 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
USP2 O75604 1/20 0.45
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.37
REN P00797 1/20 0.37
ABCB11 O95342 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL5806086 1.00 ACE (0.45) ACELMNAMEN1KMT2AUSP2
SCHEMBL6508290 1.00 ACE (0.45) ACELMNAMEN1KMT2AUSP2
SCHEMBL9731804 1.00 ACE (0.45) ACELMNAMEN1KMT2AUSP2
SCHEMBL5794084 0.92 ACE (0.48) ACELMNAMEN1KMT2AUSP2
SCHEMBL9520888 0.92 ACE (0.48) ACELMNAMEN1KMT2AUSP2
SCHEMBL9731888 0.92 ACE (0.44) ACELMNAMEN1KMT2AUSP2
SCHEMBL9863834 0.80 ACE (0.42) ACELMNASMN1; SMN2
SCHEMBL10735598 0.78 ACE (0.35) ACELMNAMEN1KMT2AUSP2
SCHEMBL10742800 0.78 ACE (0.35) ACELMNAMEN1KMT2AUSP2
SCHEMBL10787640 0.77 ACE (0.38) ACELMNAMEN1KMT2AUSP2

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