SCHEMBL9775447

SCHEMBL9775447

CCCCCCCCOC(=O)[C@@H]1C[C@@H]2CCC[C@@H]2N1C(=O)[C@H](C)NC(CCc1ccccc1)C(=O)OCC

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACE P12821 14/20 0.77
MEN1 O00255 2/20 0.77
KMT2A Q03164 2/20 0.77
CYP3A4 P08684 1/20 0.77
ALOX15 P16050 1/20 0.77
LMNA P02545 2/20 0.75
USP2 O75604 1/20 0.75
SMN1; SMN2 Q16637 1/20 0.51
ABCB11 O95342 1/20 0.49

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
SCHEMBL9775445 1.00 ACE (0.77) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9773163 1.00 ACE (0.77) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9773146 1.00 ACE (0.77) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9773120 1.00 ACE (0.77) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9773161 1.00 ACE (0.77) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9775474 1.00 ACE (0.77) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9593609 1.00 ACE (0.77) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9773138 1.00 ACE (0.77) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9773238 1.00 ACE (0.77) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9773177 0.98 ACE (0.73) ACEMEN1KMT2ACYP3A4ALOX15

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4999370-A ANXIOLYTIC AGENTS, INHIBITORS OF ANGIOTENSIN CONVERTING ENZYME, NOOTROPIC AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1991-03-12 US disclosed