SCHEMBL8068334

SCHEMBL8068334

NCC(=O)N(C(=O)C(N)Cc1ccccc1)C(Cc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.54
ALPI P09923 1/20 0.54
PKM P14618 1/20 0.54
PTGS1 P23219 1/20 0.54
XIAP P98170 1/20 0.54
SLC1A3 P43003 2/20 0.44
SLC1A2 P43004 2/20 0.44
SLC1A1 P43005 2/20 0.44
SLC15A1 P46059 1/20 0.44
MC4R P32245 2/20 0.43
MC5R P33032 1/20 0.43
MC3R P41968 1/20 0.43
LTA4H P09960 1/20 0.42
MMP2 P08253 1/20 0.41
CYP1A2 P05177 1/20 0.41
HDAC8 Q9BY41 2/20 0.40
SRR Q9GZT4 1/20 0.40

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
SCHEMBL10584413 0.90 SLC7A5 (0.62) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL28794174 0.89 SLC7A5 (0.56) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL28794185 0.89 SLC7A5 (0.56) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL19974077 0.88 ANPEP (0.51) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL10601751 0.88 CPA3 (0.47) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL17158366 0.88 ALPI (0.50) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL26923164 0.87 MC4R (0.48) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL11191381 0.87 ALPI (0.50) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL7593001 0.86 SLC7A5 (0.54) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL9068961 0.84 SLC7A5 (0.49) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6074555-A HYDROPHOBIC SURFACES IN THE PORES AND HYDROPHILIC OUTER SURFACES. MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-06-13 US disclosed
US-5672422-A Packing material for column and process for production thereof SHISEIDO COMPANY LTD. (JP) 1997-09-30 US disclosed
EP-0501786-B1 Packing material for column and process for production thereof SHISEIDO CO LTD (JP) 1996-04-17 EP disclosed
EP-0425104-B1 Column packing material SHISEIDO CO LTD (JP) 1993-12-22 EP disclosed
EP-0501786-A1 Packing material for column and process for production thereof SHISEIDO COMPANY LIMITED (JP) 1992-09-02 EP disclosed
US-5135649-A Silicone polymer having bonded hydrocarbon and polyoxyalkylene or hydroxyl groups SHISEIDO COMPANY LTD. (JP) 1992-08-04 US disclosed
EP-0425104-A1 Column packing material SHISEIDO COMPANY LIMITED (JP) 1991-05-02 EP disclosed