SCHEMBL10959623

SCHEMBL10959623

CC(N)C(=O)N1[C@H](C(=O)OCc2ccccc2)C[C@@H]2CCCC[C@@H]21

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
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 0.49
ALOX15 P16050 1/20 0.49
FKBP1A P62942 5/20 0.47
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL9594309 1.00 ACE (0.52) ACEMEN1KMT2AUSP2LMNA
SCHEMBL9731770 0.99 ACE (0.51) ACEMEN1KMT2AUSP2LMNA
SCHEMBL9698092 0.98 ACE (0.52) ACEMEN1KMT2AUSP2LMNA
SCHEMBL9731915 0.98 ACE (0.52) ACEMEN1KMT2AUSP2LMNA
SCHEMBL9698089 0.98 ACE (0.52) ACEMEN1KMT2AUSP2LMNA
Trifluoroacetic Acid SCHEMBL9247888 0.94 ACE (0.47) ACEMEN1KMT2AUSP2LMNA
Trifluoroacetic Acid SCHEMBL9773139 0.92 ACE (0.47) ACEMEN1KMT2AUSP2LMNA
Trifluoroacetic Acid SCHEMBL9592921 0.92 ACE (0.47) ACEMEN1KMT2AUSP2LMNA
SCHEMBL14370435 0.91 ACE (0.54) ACEMEN1KMT2AUSP2LMNA
SCHEMBL13609888 0.85 FKBP1A (0.51) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4525301-A REACTING TRIFLUOROMETHANE SULFONIC ACID DERIVATIVES WITH AMINO ACID ESTERS HOECHST AKTIENGESELLSCHAFT (DE) 1985-06-25 US disclosed