SCHEMBL11505366

SCHEMBL11505366

C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](COCc1ccccc1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.68
PPARG P37231 2/20 0.62
CTSS P25774 1/20 0.59
MME P08473 1/20 0.52
KLK7 P49862 2/20 0.48
KLK5 Q9Y337 2/20 0.48
MMP9 P14780 2/20 0.47
MMP8 P22894 1/20 0.47
REN P00797 1/20 0.47
RAB9A P51151 1/20 0.47
FOLH1 Q04609 1/20 0.47
PTPN1 P18031 5/20 0.46
CDC25B P30305 5/20 0.46
PTPN2 P17706 4/20 0.46
CDC25A P30304 3/20 0.46
PTPN6 P29350 1/20 0.46
PTPN11 Q06124 1/20 0.46
MMP14 P50281 1/20 0.45
ACE P12821 1/20 0.45

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
SCHEMBL11522841 0.92 PPARA (0.64) PPARAPPARGCTSSMMEREN
SCHEMBL11525633 0.92 PPARA (0.64) PPARAPPARGCTSSMMEREN
SCHEMBL11522829 0.92 PPARA (0.64) PPARAPPARGCTSSMMEREN
SCHEMBL29787684 0.88 PPARA (0.52) PPARAPPARGCTSSMMEMMP9
SCHEMBL29556874 0.86 PPARA (0.75) PPARAPPARGCTSSMMEKLK7
SCHEMBL29135753 0.86 PPARA (0.75) PPARAPPARGCTSSMMEKLK7
SCHEMBL828674 0.85 PPARA (0.90) PPARAPPARGCTSSMMEKLK7
SCHEMBL17051 0.85 PPARA (0.90) PPARAPPARGCTSSMMEKLK7
SCHEMBL1132901 0.85 PPARA (0.90) PPARAPPARGCTSSMMEKLK7
SCHEMBL11569823 0.85 BACE1 (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4159263-A INHIBIT RELEASE OF GROWTH HORMONE AND INSULIN AMERICAN HOME PRODUCTS CORPORATION (US) 1979-06-26 US disclosed
US-4123425-A POLYPEPTIDES, HORMONE RELEASE INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1978-10-31 US disclosed
US-3991041-A GROWTH HORMONE RELEASE INHIBITOR AMERICAN HOME PRODUCTS CORPORATION (US) 1976-11-09 US disclosed
US-3988308-A (Tyr3, Tyr14)-SRIF and intermediates AMERICAN HOME PRODUCTS CORPORATION (US) 1976-10-26 US disclosed