SCHEMBL5017047

SCHEMBL5017047

C=C(C)C(=O)NC(=O)[C@H](C)N

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 1/20 0.41
DPP4 P27487 2/20 0.39
RXFP1 Q9HBX9 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TGFBR1 P36897 1/20 0.35
DPP8 Q6V1X1 2/20 0.32
DPP7 Q9UHL4 2/20 0.32
FAP Q12884 1/20 0.32
DPP9 Q86TI2 1/20 0.32
ALDH1A1 P00352 2/20 0.32
SLC7A5 Q01650 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.30
PAX8 Q06710 1/20 0.30
XIAP P98170 1/20 0.30
BIRC2 Q13490 1/20 0.30

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
SCHEMBL28385317 0.90 SLC15A1 (0.38) SLC15A1DPP4RXFP1TDP1TGFBR1
SCHEMBL2930591 0.81 RXFP1 (0.38) RXFP1TDP1TGFBR1ALDH1A1KDM4E
SCHEMBL29037427 0.80 DPP4 (0.38) SLC15A1DPP4RXFP1TDP1TGFBR1
SCHEMBL29037429 0.80 DPP4 (0.38) SLC15A1DPP4RXFP1TDP1TGFBR1
SCHEMBL1593747 0.79 MEN1 (0.38) RXFP1TDP1TGFBR1ALDH1A1KDM4E
SCHEMBL169096 0.77 SLC15A1 (0.58) SLC15A1DPP4DPP8DPP7FAP
SCHEMBL4411446 0.77 TGFBR1 (0.44) SLC15A1RXFP1TDP1TGFBR1ALDH1A1
SCHEMBL20717738 0.75
SCHEMBL29616787 0.75
SCHEMBL19115938 0.75

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-1156031-B1 NOVEL COMPOUND, POLYMER PREPARED FROM THE COMPOUND, AND COMPOSITION COMPRISING THE POLYMER POLA CHEM IND INC (JP) 2008-09-17 EP disclosed
US-6703468-B1 COMPOSITION FOR TOPICAL ADMINISTRATION TO SKIN OR HAIR COMPRISING SUITABLE CARRIER AND EFFECTIVE AMOUNT OF SPECIFIED POLYMER WHICH HAS BENEFICIAL EFFECTS ON SKIN FUNCTIONS POLA CHEMICAL INDUSTRIES INC. (JP) 2004-03-09 US disclosed
EP-1156031-A1 NOVEL COMPOUND, POLYMER PREPARED FROM THE COMPOUND, AND COMPOSITION COMPRISING THE POLYMER POLA CHEMICAL INDUSTRIES, INC. (JP) 2001-11-21 EP disclosed