SCHEMBL28059544

SCHEMBL28059544

O=C(O)C(Cc1ccc(O)cc1)N(S)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.46
MME P08473 1/20 0.46
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
PTPN1 P18031 1/20 0.45
TRPV1 Q8NER1 1/20 0.43
POLB P06746 1/20 0.43
CYP1A2 P05177 1/20 0.43
ACE P12821 2/20 0.43
CPA3 P15088 1/20 0.42
FOLH1 Q04609 1/20 0.42
ESR1 P03372 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
TAS2R14 Q9NYV8 1/20 0.42
MTOR P42345 1/20 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

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
SCHEMBL28059546 1.00 SLC7A5 (0.46) SLC7A5MMEFNTAFNTBPTPN1
SCHEMBL28059553 0.92 CYP1A2 (0.50) SLC7A5MMEPTPN1CYP1A2CPA3
SCHEMBL28059554 0.92 CYP1A2 (0.50) SLC7A5MMEPTPN1CYP1A2CPA3
SCHEMBL27799946 0.84 SLC7A5 (0.49) SLC7A5MMEFNTAFNTBPTPN1
SCHEMBL20856984 0.80 FNTA (0.47) SLC7A5MMEFNTAFNTBTRPV1
SCHEMBL1486796 0.79 POLB (0.45) SLC7A5MMEFNTAFNTBPTPN1
SCHEMBL11582506 0.79 FOLH1 (0.49) MMEPTPN1CYP1A2CPA3FOLH1
SCHEMBL1486794 0.78 ANPEP (0.48) SLC7A5MMEFNTAFNTBPTPN1
SCHEMBL1486797 0.78 ANPEP (0.48) SLC7A5MMEFNTAFNTBPTPN1
SCHEMBL9754096 0.77 SLC7A5 (0.55) SLC7A5FNTAFNTBPOLBFOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105392891-A Method for producing d-form or l-form amino acid derivative having thiol group GLYTECH INC 2016-03-09 CN disclosed