SCHEMBL8440943

SCHEMBL8440943

CC(C)CC(OC(=O)[C@H](C)Cc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SRR Q9GZT4 2/20 0.49
ANPEP P15144 1/20 0.46
RNPEP Q9H4A4 1/20 0.46
DNPEP Q9ULA0 1/20 0.46
PPARG P37231 4/20 0.46
PPARA Q07869 4/20 0.46
ACE P12821 2/20 0.46
MME P08473 1/20 0.45
HPGD P15428 1/20 0.44
CYP1A2 P05177 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
SCHEMBL361291 0.78 KLK7 (0.54) CYP1A2
SCHEMBL361290 0.78 KLK7 (0.54) CYP1A2
SCHEMBL10407749 0.78 SRR (0.59) SRRPPARGPPARAACE
SCHEMBL20979753 0.77 MME (0.50) SRRPPARGPPARAACEMME
SCHEMBL19846395 0.75 IL1RN (0.44) SRRANPEPRNPEPDNPEPPPARG
SCHEMBL517463 0.75 ALDH1A1 (0.60) ANPEPHPGD
SCHEMBL2600694 0.75 ALDH1A1 (0.60) ANPEPHPGD
SCHEMBL17761604 0.75 ALDH1A1 (0.60) ANPEPHPGD
SCHEMBL9800444 0.75 KLK7 (0.47)
SCHEMBL7310650 0.75 ALDH1A1 (0.51) ANPEPPPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869786-A4 PHARMACEUTICAL COMPOUNDS LILLY CO ELI (US) 1999-04-14 EP disclosed
EP-0869786-A1 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 1998-10-14 EP disclosed
WO-1997023211-A1 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 1997-07-03 WO disclosed