SCHEMBL6162932

SCHEMBL6162932

CC(C)(C)OC(=O)NC(C)(C)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC(c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.48
CTSS P25774 1/20 0.46
KLK7 P49862 2/20 0.46
KLK5 Q9Y337 2/20 0.46
KMT2A Q03164 2/20 0.46
CCR1 P32246 2/20 0.46
CCKBR P32239 2/20 0.46
F13A1 P00488 1/20 0.46
TGM2 P21980 1/20 0.46
TGM1 P22735 1/20 0.46
MAPK1 P28482 1/20 0.46
TACR1 P25103 2/20 0.45
PPARG P37231 1/20 0.45
GHSR Q92847 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
SCHEMBL6162935 1.00 PPARA (0.48) PPARACTSSKLK7KLK5KMT2A
SCHEMBL6164942 0.86 PPARG (0.48) PPARAKMT2ACCR1CCKBRF13A1
SCHEMBL6179686 0.86 F13A1 (0.49) KMT2ACCR1CCKBRF13A1TGM2
SCHEMBL6164945 0.86 PPARG (0.48) PPARAKMT2ACCR1CCKBRF13A1
SCHEMBL6161700 0.85 GHSR (0.58) CTSSCCR1CCKBRF13A1TGM2
SCHEMBL6161692 0.85 GHSR (0.58) CTSSCCR1CCKBRF13A1TGM2
SCHEMBL6163920 0.85 CYP3A4 (0.46) PPARACTSSKMT2ACCKBRMAPK1
SCHEMBL6163918 0.85 CYP3A4 (0.46) PPARACTSSKMT2ACCKBRMAPK1
Hydrochloric Acid SCHEMBL6160707 0.84 GHSR (0.57) CTSSCCR1CCKBRF13A1TGM2
Hydrochloric Acid SCHEMBL6160711 0.84 GHSR (0.57) CTSSCCR1CCKBRF13A1TGM2

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
EP-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP disclosed