SCHEMBL3354528

SCHEMBL3354528

CC(=O)N(C(=O)[C@H](C)N)[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.55
TAAR1 Q96RJ0 3/20 0.47
SLC6A2 P23975 1/20 0.47
ESR1 P03372 3/20 0.42
ESR2 Q92731 2/20 0.42
FOLH1 Q04609 1/20 0.41
PTGS1 P23219 4/20 0.40
PTGS2 P35354 3/20 0.40
LMNA P02545 2/20 0.40
CYP2C9 P11712 2/20 0.40
AKR1C3 P42330 2/20 0.40
CXCR1 P25024 2/20 0.40
CXCR2 P25025 2/20 0.40
ALB P02768 1/20 0.40
ALOX5 P09917 1/20 0.40
RARB P10826 1/20 0.40
ADRB3 P13945 1/20 0.40
NFKB1 P19838 1/20 0.40
HTR2A P28223 1/20 0.40
NR1I3 Q14994 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
SCHEMBL16275180 0.94 SLC7A5 (0.54) SLC7A5TAAR1SLC6A2ESR1ESR2
SCHEMBL16275179 0.94 SLC7A5 (0.54) SLC7A5TAAR1SLC6A2ESR1ESR2
SCHEMBL8990000 0.88 SLC7A5 (0.48) SLC7A5TAAR1SLC6A2ESR1ESR2
SCHEMBL7163410 0.86 SLC7A5 (0.58) SLC7A5TAAR1SLC6A2ESR1ESR2
SCHEMBL7163413 0.86 SLC7A5 (0.58) SLC7A5TAAR1SLC6A2ESR1ESR2
SCHEMBL31530461 0.84 SLC7A5 (0.53) SLC7A5TAAR1SLC6A2ESR1ESR2
SCHEMBL10646229 0.82 SLC1A3 (0.51) SLC7A5TAAR1SLC6A2PTGS1ALPI
SCHEMBL2172106 0.81 SLC7A5 (0.49) SLC7A5TAAR1SLC6A2ESR1ESR2
SCHEMBL2172100 0.81 SLC7A5 (0.49) SLC7A5TAAR1SLC6A2ESR1ESR2
SCHEMBL8712794 0.80 SLC7A5 (0.59) SLC7A5PTGS1ALPIPKMXIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794663-A1 PEPTIDE THERAPEUTIC CONJUGATES AND USES THEREOF Angiochem Inc. (CA) 2014-10-29 EP disclosed
WO-2010063124-A1 PEPTIDE THERAPEUTIC CONJUGATES AND USES THEREOF ANGIOCHEM INC. (CA) 2010-06-10 WO disclosed