SCHEMBL8895314

SCHEMBL8895314

CCCC(C(=O)N(C)C)N(C)C(=O)O[C@@H](CC(C)CCc1ccccc1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
GPR88 Q9GZN0 1/20 0.36
PPARA Q07869 5/20 0.36
ACE P12821 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL8897474 0.93 PPARG (0.36) PPARGPTGESALOX5PPARAACE
SCHEMBL8895820 0.83 ACE (0.41) ACETSHR
SCHEMBL8613299 0.80 FOLH1 (0.41) CHRNB2CHRNA4
SCHEMBL8897470 0.75 CTSL (0.43) ACESMN1; SMN2CHRNB2CHRNB4CHRNA3
SCHEMBL8895311 0.75 CTSL (0.46) PPARGPPARAACESMN1; SMN2KMT2A
SCHEMBL8896571 0.75 CTSL (0.46) PPARGPPARAACESMN1; SMN2KMT2A
SCHEMBL8896188 0.74 CTSL (0.46)
SCHEMBL8896183 0.74 CTSL (0.46)
SCHEMBL8896829 0.74 PPARG (0.48) PPARGPPARASMN1; SMN2TSHRKMT2A
SCHEMBL8897280 0.70 PPARG (0.45) PPARGPPARASMN1; SMN2TSHRKMT2A

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-5656604-A HYPOTENSIVE AGENT; ENDOTHELIN ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed