SCHEMBL8305511

SCHEMBL8305511

NCC(=O)/C(=C/c1ccc(Br)s1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.37
LMNA P02545 1/20 0.36
RAB9A P51151 4/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
GSK3B P49841 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 3/20 0.33
TNFRSF1A P19438 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 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
SCHEMBL8305515 1.00 DAO (0.37) DAOLMNARAB9AMAPTSMN1; SMN2
SCHEMBL8309035 0.81 MAPT (0.43) DAOLMNARAB9AMAPTSMN1; SMN2
SCHEMBL8309032 0.81 MAPT (0.43) DAOLMNARAB9AMAPTSMN1; SMN2
SCHEMBL28432839 0.81 DAO (0.39) DAOLMNARAB9AMAPTSMN1; SMN2
SCHEMBL8309042 0.78 MAPT (0.44) LMNARAB9AMAPTSMN1; SMN2GAA
SCHEMBL8309038 0.78 MAPT (0.44) LMNARAB9AMAPTSMN1; SMN2GAA
SCHEMBL8308113 0.75 MEN1 (0.38) LMNARAB9AGAACES2CES1
SCHEMBL8308108 0.75 MEN1 (0.38) LMNARAB9AGAACES2CES1
SCHEMBL8306508 0.74 DAO (0.45) DAOLMNARAB9AMAPTSMN1; SMN2
SCHEMBL8306509 0.74 DAO (0.45) DAOLMNARAB9AMAPTSMN1; SMN2

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-0581250-B1 Process for biotechnical preparation of L-thienylalanines in enantiomere pure form from 2-hydroxy-3-thienyl-acrylic acids and their use HOECHST AG (DE) 1999-03-03 EP disclosed
US-5780640-A Process for the biotechnological preparation of L-thienylalanines in enantiomerically pure form from 2-hydroxy-3-thienylacrylic acids and their use HOECHST AKTIENGESELLSCHAFT (DE) 1998-07-14 US disclosed
US-5688672-A Process for the biotechnological preparation of L-thienylalanines in enantiomerically pure form from 2-hydroxy-3-thienylacrylic acids HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-18 US disclosed
US-5480786-A Process for the biotechnological preparation of l-thienylalanines in enantiomerically pure form from 2-hydroxy-3-thienylacrylic acids, and their use HOECHST AKTIENGESELLSCHAFT (DE) 1996-01-02 US disclosed
EP-0581250-A2 Process for biotechnical preparation of L-thienylalanines in enantiomere pure form from 2-hydroxy-3-thienyl-acrylic acids and their use HOECHST AKTIENGESELLSCHAFT (DE) 1994-02-02 EP disclosed