SCHEMBL8304015

SCHEMBL8304015

O=C(O)/C(O)=C/c1ccsc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
DAO P14920 1/20 0.43
ALOX5 P09917 3/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
GUSB P08236 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36

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
SCHEMBL8304019 1.00 LCK (0.43) LCKFYNDAOALOX5CES2
SCHEMBL11084497 0.80 CAPN1 (0.52) LCKFYNDAO
SCHEMBL3296577 0.80 AKR1C3 (0.57) LCKFYNDAOALOX5CES2
SCHEMBL3296581 0.80 AKR1C3 (0.57) LCKFYNDAOALOX5CES2
SCHEMBL11084493 0.80 CAPN1 (0.52) LCKFYNDAO
SCHEMBL11126627 0.79 LCK (0.39) LCKFYNDAOALOX5CES2
SCHEMBL11392785 0.77 ALDH1A1 (0.44) LCKFYNDAOALOX5LMNA
Oxalic Acid SCHEMBL6968602 0.77 LCK (0.45) LCKFYNDAOALOX5CES2
SCHEMBL16438119 0.76 TBXAS1 (0.43) LCKFYNDAOALOX5LMNA
SCHEMBL9361394 0.76 KDM4E (0.57) LMNAMAPTKDM4E

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