SCHEMBL8897474

SCHEMBL8897474

CCC(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 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.36
PPARA Q07869 3/20 0.36
ACE P12821 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.36
CHRNB2 P17787 2/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNA4 P43681 2/20 0.35
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PTGES O14684 1/20 0.34
ALOX5 P09917 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
SCHEMBL8895314 0.93 PPARG (0.36) PPARGPPARAACESMN1; SMN2KMT2A
SCHEMBL8612047 0.78 FOLH1 (0.37)
SCHEMBL8895820 0.78 ACE (0.41) ACEHPGDTSHR
SCHEMBL8896571 0.78 CTSL (0.46) PPARGPPARAACESMN1; SMN2MEN1
SCHEMBL8895311 0.78 CTSL (0.46) PPARGPPARAACESMN1; SMN2MEN1
SCHEMBL8897470 0.76 CTSL (0.43) ACESMN1; SMN2MEN1HTTKMT2A
SCHEMBL8896183 0.75 CTSL (0.46)
SCHEMBL8896188 0.75 CTSL (0.46)
SCHEMBL8896829 0.75 PPARG (0.48) PPARGPPARASMN1; SMN2MEN1HTT
SCHEMBL8897280 0.73 PPARG (0.45) PPARGPPARASMN1; SMN2MEN1HTT

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