SCHEMBL3333900

SCHEMBL3333900

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

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.48
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.38
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
CASR P41180 1/20 0.35
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL3333899 1.00 SLC7A5 (0.48) SLC7A5TSHRALDH1A1SLC1A3SLC1A2
SCHEMBL28147764 1.00 SLC7A5 (0.48) SLC7A5TSHRALDH1A1SLC1A3SLC1A2
SCHEMBL6249367 0.83 SLC7A5 (0.46) SLC7A5TSHRSLC1A3SLC1A2SLC1A1
SCHEMBL5708449 0.81 TSHR (0.43) SLC7A5TSHRALDH1A1TDP1
SCHEMBL3364351 0.81 SLC7A5 (0.45) SLC7A5TSHRALDH1A1SLC1A3SLC1A2
Valine SCHEMBL8838223 0.81 SLC7A5 (0.56) SLC7A5TSHRALDH1A1SLC1A3SLC1A2
SCHEMBL4734217 0.80 TSHR (0.50) TSHRALDH1A1TDP1
SCHEMBL5177443 0.80 TSHR (0.50) TSHRALDH1A1TDP1
SCHEMBL7769789 0.80 SLC1A3 (0.52) SLC7A5TSHRALDH1A1SLC1A3SLC1A2
SCHEMBL17770782 0.79 TSHR (0.42) SLC7A5TSHRALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1754684-B1 METHOD FOR TREATING SURFACE OF BASE, SURFACE-TREATED BASE, MATERIAL FOR MEDICAL USE AND INSTRUMENT FOR MEDICAL USE TOYO ADVANCED TECH CO (JP) 2016-02-03 EP disclosed
US-8221823-B2 Method for fabricating material TOYO ADVANCED TECHNOLOGIES CO., LTD. (JP) 2012-07-17 US disclosed
US-20100136212-A1 METHOD FOR FABRICATING MATERIAL ABE YOSHINORI 2010-06-03 US disclosed
US-20070207321-A1 Method For Treating Surface Of Material, Surface-Treated Material, Medical Material, And Medical Instrument TOYO ADVANCED TECHNOLOGIES CO., LTD. (JP) 2007-09-06 US disclosed
EP-1754684-A1 METHOD FOR TREATING SURFACE OF BASE, SURFACE-TREATED BASE, MATERIAL FOR MEDICAL USE AND INSTRUMENT FOR MEDICAL USE Toyo Advanced Technologies Co., Ltd. (JP) 2007-02-21 EP disclosed