SCHEMBL7871516

SCHEMBL7871516

CC(NC(=O)OCc1ccccc1)C(=O)N1CCCC1C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.72
ACE P12821 12/20 0.63
LMNA P02545 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.56
ACE2 Q9BYF1 5/20 0.56
ELANE P08246 1/20 0.55
ALDH1A1 P00352 1/20 0.54
CYP3A4 P08684 1/20 0.54
TSHR P16473 1/20 0.54
LTA4H P09960 1/20 0.52

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
SCHEMBL7334484 1.00 PREP (0.72) PREPACELMNASMN1; SMN2ACE2
SCHEMBL22209468 1.00 PREP (0.72) PREPACELMNASMN1; SMN2ACE2
SCHEMBL10657907 0.96 PREP (0.67) PREPACELMNASMN1; SMN2ACE2
SCHEMBL8611219 0.96 PREP (0.67) PREPACELMNASMN1; SMN2ACE2
SCHEMBL8611215 0.96 PREP (0.67) PREPACELMNASMN1; SMN2ACE2
SCHEMBL9438701 0.96 PREP (0.67) PREPACELMNASMN1; SMN2ACE2
SCHEMBL9438697 0.96 PREP (0.67) PREPACELMNASMN1; SMN2ACE2
SCHEMBL9438980 0.96 PREP (0.67) PREPACELMNASMN1; SMN2ACE2
SCHEMBL16000756 0.92 PREP (0.71) PREPACELMNASMN1; SMN2ACE2
SCHEMBL22209424 0.91 PREP (0.70) PREPACELMNAELANEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6310180-B1 PEPTIDE BIOSYNTHESIS REQUIRING NEITHER PROTECTION NOR ACTIVE C-ALPHA CARBOXYL GROUPS BY COUPLING PEPTIDES BY REACTING A 1-AMINO-2-MERCAPTO ALKYL ATTACHED TO ONE PEPTIDE WITH THE CARBOXY GROUP OF THE OTHER; REARRANGEMENT; STABILITY VANDERBILT UNIVERSITY 2001-10-30 US disclosed
US-4554100-A ENZYME INHIBITORS SPOFA, SPOJENE PODNIKY PRO ZDRAVOTNICKOU VYROBU (CS) 1985-11-19 US disclosed