SCHEMBL10954483

SCHEMBL10954483

C[C@H](NC(=O)CCCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 10/20 0.56
▸ REN P00797 4/20 0.56
▸ KDM4E B2RXH2 1/20 0.48
▸ F2 P00734 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ LTA4H P09960 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ PEPD P12955 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ PTGS1 P23219 1/20 0.48
▸ HTR2A P28223 1/20 0.48
▸ PTGS2 P35354 1/20 0.48
▸ HRH1 P35367 1/20 0.48
▸ THPO P40225 1/20 0.48
▸ PMP22 Q01453 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ ACE2 Q9BYF1 1/20 0.48
▸ RAB9A P51151 1/20 0.41

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
SCHEMBL10954475 1.00 ACE (0.56) ACERENKDM4EF2LMNA
SCHEMBL10955254 0.93 ACE (0.59) ACERENKDM4EF2LMNA
SCHEMBL10955262 0.93 ACE (0.59) ACERENKDM4EF2LMNA
SCHEMBL10733063 0.88 ACE (0.64) ACERENKDM4EF2LMNA
SCHEMBL10953051 0.88 ACE (0.64) ACERENKDM4EF2LMNA
SCHEMBL11435667 0.84 ACE (0.55) ACERENKDM4EF2LMNA
SCHEMBL10657795 0.83 ACE (0.59) ACERENKDM4EF2LMNA
SCHEMBL10728801 0.83 FAAH (0.49) ACERENACE2
SCHEMBL10728795 0.83 FAAH (0.49) ACERENACE2
SCHEMBL10728862 0.83 FAAH (0.49) ACERENACE2

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-4554100-A ENZYME INHIBITORS SPOFA, SPOJENE PODNIKY PRO ZDRAVOTNICKOU VYROBU (CS) 1985-11-19 — — US disclosed
Send feedback