SCHEMBL8306509

SCHEMBL8306509

O=C(O)C(O)=Cc1ccc(Br)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.45
RAB9A P51151 5/20 0.42
MAPT P10636 4/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 4/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
ALPL P05186 1/20 0.38
HSP90AA1 P07900 1/20 0.38
ALPI P09923 1/20 0.38
ALPG P10696 1/20 0.38
G6PD P11413 1/20 0.38
GSK3B P49841 2/20 0.37
POLB P06746 2/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL8306508 1.00 DAO (0.45) DAORAB9AMAPTCES2CES1
SCHEMBL4607793 0.79 DAO (0.41) DAORAB9AMAPTCES2CES1
SCHEMBL4607795 0.79 DAO (0.41) DAORAB9AMAPTCES2CES1
SCHEMBL2863130 0.77 LMNA (0.59) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL2863123 0.77 LMNA (0.59) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL28432839 0.77 DAO (0.39) DAORAB9AMAPTCES2CES1
SCHEMBL8304569 0.76 MAPT (0.50) DAORAB9AMAPTLMNAALDH1A1
SCHEMBL8304567 0.76 MAPT (0.50) DAORAB9AMAPTLMNAALDH1A1
SCHEMBL8305511 0.74 DAO (0.37) DAORAB9AMAPTCES2CES1
SCHEMBL11483527 0.74 RAB9A (0.39) DAORAB9AMAPTCES2CES1

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