SCHEMBL5576438

SCHEMBL5576438

NCC(=O)OC(=O)[C@@H](N)Cc1ccccc1.N[C@@H](Cc1ccc(OC(=O)[C@@H]2CCCN2)cc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 4/20 0.41
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 1/20 0.41
CTSC P53634 2/20 0.40
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
PTPN1 P18031 1/20 0.36
F2 P00734 1/20 0.35
DPP4 P27487 2/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
TYR P14679 1/20 0.34
SLC15A1 P46059 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL3100802 0.95 ITGB3 (0.38) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL1675509 0.94 SLC7A5 (0.44) SLC7A5HTR2CHTR2BCTSCITGB3
SCHEMBL4542258 0.87 PTPN1 (0.45) SLC7A5ALPIPKMPTGS1XIAP
Proline SCHEMBL17728310 0.86 PTPN1 (0.43) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL10757105 0.85 HTR2C (0.45) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL17728295 0.84 HTR2C (0.36) SLC7A5ALPIPKMPTGS1XIAP
Proline SCHEMBL17728296 0.83 HTR2C (0.37) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL3044964 0.83 ITGB3 (0.37) SLC7A5ALPIPKMPTGS1XIAP
Tyrosine SCHEMBL9686139 0.82 SLC7A5 (0.50) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL6284117 0.82 SLC7A5 (0.46) SLC7A5ALPIPKMPTGS1XIAP

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
US-20070031439-A1 Novel protein related to melanoma-inhibiting protein and uses thereof MILLENNIUM PHARMACEUTICALS, INC. 2007-02-08 US disclosed
US-20030224451-A1 Novel protein related to melanoma-inhibiting protein and uses thereof MILLENNIUM PHARMACEUTICALS, INC. 2003-12-04 US disclosed
US-20020103360-A1 Novel protein related to melanoma-inhibiting protein and uses thereof MILLENNIUM PHARMACEUTICALS, INC. 2002-08-01 US disclosed