SCHEMBL8309035

SCHEMBL8309035

Cc1ccc(C=C(C(=O)O)C(=O)CN)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
KMT2A Q03164 8/20 0.43
ALDH1A1 P00352 5/20 0.43
HPGD P15428 4/20 0.43
TDP1 Q9NUW8 3/20 0.43
MEN1 O00255 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
SMN1; SMN2 Q16637 5/20 0.37
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
DAO P14920 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
KDM4E B2RXH2 3/20 0.37
LMNA P02545 2/20 0.37
UBE2I P63279 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 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
SCHEMBL8305511 0.81 DAO (0.37) MAPTKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL8305515 0.81 DAO (0.37) MAPTKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL8304567 0.74 MAPT (0.50) MAPTKMT2AALDH1A1HPGDTDP1
SCHEMBL8304569 0.74 MAPT (0.50) MAPTKMT2AALDH1A1HPGDTDP1
SCHEMBL2922217 0.73 MAPT (0.49) MAPTKMT2AALDH1A1HPGDTDP1
SCHEMBL2922214 0.73 MAPT (0.49) MAPTKMT2AALDH1A1HPGDTDP1
SCHEMBL10744575 0.71 KMT2A (0.56) MAPTKMT2AALDH1A1HPGDTDP1
SCHEMBL12101426 0.71 TSHR (0.45) MAPTKMT2AALDH1A1HPGDTDP1
SCHEMBL8308309 0.71 SMN1; SMN2 (0.40) MAPTKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL8308311 0.71 SMN1; SMN2 (0.40) MAPTKMT2AALDH1A1MEN1L3MBTL1

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