SCHEMBL8309038

SCHEMBL8309038

NCC(=O)/C(=C/c1ccc([N+](=O)[O-])s1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.44
ALDH1A1 P00352 9/20 0.44
LMNA P02545 8/20 0.44
KMT2A Q03164 8/20 0.44
KDM4E B2RXH2 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
POLB P06746 3/20 0.44
RAB9A P51151 2/20 0.44
HSP90AA1 P07900 1/20 0.44
RECQL P46063 1/20 0.44
HTT P42858 10/20 0.43
MEN1 O00255 7/20 0.43
MITF O75030 9/20 0.43
SMN1; SMN2 Q16637 9/20 0.43
GAA P10253 1/20 0.42
HPGD P15428 2/20 0.40
ALOX12 P18054 1/20 0.40
NPC1 O15118 2/20 0.40
ESR1 P03372 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL8309042 1.00 MAPT (0.44) MAPTALDH1A1LMNAKMT2AKDM4E
SCHEMBL18985241 0.88 MAPT (0.49) MAPTALDH1A1LMNAKMT2AKDM4E
SCHEMBL7416417 0.82 MAPT (0.47) MAPTALDH1A1LMNAKMT2AKDM4E
SCHEMBL8308539 0.79 MAPT (0.49) MAPTALDH1A1LMNAKMT2AKDM4E
SCHEMBL8308542 0.79 MAPT (0.49) MAPTALDH1A1LMNAKMT2AKDM4E
SCHEMBL8309035 0.78 MAPT (0.43) MAPTALDH1A1LMNAKMT2AKDM4E
SCHEMBL8305511 0.78 DAO (0.37) MAPTALDH1A1LMNAKMT2AKDM4E
SCHEMBL8309032 0.78 MAPT (0.43) MAPTALDH1A1LMNAKMT2AKDM4E
SCHEMBL8045662 0.77 MAPT (0.50) MAPTALDH1A1LMNAKMT2AKDM4E
SCHEMBL9362285 0.72 MAPT (0.46) MAPTALDH1A1LMNAKMT2AKDM4E

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