SCHEMBL9733499

SCHEMBL9733499

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

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACE P12821 12/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ABCB11 O95342 2/20 0.37

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
SCHEMBL10460483 1.00 ACE (0.40) ACELMNAMEN1KMT2AUSP2
Hydrochloric Acid SCHEMBL9732651 0.99 ACE (0.40) ACELMNAMEN1KMT2AUSP2
Hydrochloric Acid SCHEMBL10741835 0.99 ACE (0.40) ACELMNAMEN1KMT2AUSP2
Trifluoroacetic Acid SCHEMBL10742756 0.95 ACE (0.37) ACELMNAMEN1KMT2AUSP2
SCHEMBL10735598 0.91 ACE (0.35) ACELMNAMEN1KMT2AUSP2
SCHEMBL10742800 0.91 ACE (0.35) ACELMNAMEN1KMT2AUSP2
Hydrochloric Acid SCHEMBL10742610 0.85 KMT2A (0.38) ACEMEN1KMT2A
SCHEMBL10742946 0.85 ALDH1A1 (0.33) SMN1; SMN2
SCHEMBL5794084 0.84 ACE (0.48) ACELMNAMEN1KMT2AUSP2
SCHEMBL9520888 0.84 ACE (0.48) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5175306-A Intermediates for hypotensive agents HOECHST AKTIENGESELLSCHAFT (DE) 1992-12-29 US disclosed
US-4822894-A PURE CIS ENANTIOMERS OF FUSED PYRROLE RING CARBOXYLATES HOECHST AKTIENGESELLSCHAFT (DE) 1989-04-18 US disclosed
US-4668797-A HYPOTENSIVE AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1987-05-26 US disclosed
US-4668796-A Racemates of optically active bicyclic imino-alpha-carboxylic esters HOECHST AKTIENGESELLSCHAFT (DE) 1987-05-26 US disclosed
US-4562202-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS HOECHST AKTIENGESELLSCHAFT (DE) 1985-12-31 US disclosed