SCHEMBL6163585

SCHEMBL6163585

CC(C)(C)OC(=O)NC(C)(C)C(=O)NC(COCc1ccccc1)C(=O)N1CCC(C(=O)NC2CCCCC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
CCKBR P32239 2/20 0.49
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 1/20 0.46
PABPC1 P11940 1/20 0.45
PPARA Q07869 1/20 0.44
EPHX2 P34913 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42

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
SCHEMBL6163589 1.00 KMT2A (0.49) KMT2ACCKBRMAPK1NPSR1PABPC1
Hydrochloric Acid SCHEMBL6161523 0.86 GHSR (0.53) KMT2ACCKBRNPSR1EPHX2MEN1
Hydrochloric Acid SCHEMBL6161521 0.86 GHSR (0.53) KMT2ACCKBRNPSR1EPHX2MEN1
SCHEMBL6162935 0.84 PPARA (0.48) KMT2ACCKBRMAPK1PPARA
SCHEMBL6162932 0.84 PPARA (0.48) KMT2ACCKBRMAPK1PPARA
SCHEMBL6163918 0.83 CYP3A4 (0.46) KMT2ACCKBRMAPK1PPARA
SCHEMBL6163920 0.83 CYP3A4 (0.46) KMT2ACCKBRMAPK1PPARA
SCHEMBL6161524 0.81 CTSS (0.43) KMT2ACCKBRMAPK1PPARA
SCHEMBL6162110 0.80 PPARA (0.44) KMT2ACCKBRMAPK1PPARA
SCHEMBL6162114 0.80 PPARA (0.44) KMT2ACCKBRMAPK1PPARA

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
EP-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP disclosed
EP-0828754-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER INC. (US) 1998-03-18 EP disclosed
WO-1996038471-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER INC. (US) 1996-12-05 WO disclosed
WO-1996035713-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER, INC. (US) 1996-11-14 WO disclosed