SCHEMBL8307777

SCHEMBL8307777

NCC(=O)C(=Cc1ccsc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.40
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
DAO P14920 1/20 0.35
TP53 P04637 1/20 0.35
KMT2A Q03164 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
LMNA P02545 2/20 0.33
PPARA Q07869 1/20 0.33
MAPT P10636 1/20 0.33
GUSB P08236 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 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
SCHEMBL8307775 1.00 ALOX5 (0.40) ALOX5LCKFYNDAOTP53
SCHEMBL15082649 0.80 ALOX5 (0.42) ALOX5LCKFYNDAOKMT2A
SCHEMBL11392785 0.78 ALDH1A1 (0.44) ALOX5LCKFYNDAOTP53
SCHEMBL27417461 0.78 TP53 (0.53) TP53KMT2A
SCHEMBL5477849 0.74 ALOX5 (0.41) ALOX5LCKFYNDAOTP53
SCHEMBL5477844 0.74 ALOX5 (0.41) ALOX5LCKFYNDAOTP53
SCHEMBL8304015 0.73 LCK (0.43) ALOX5LCKFYNDAOKMT2A
SCHEMBL8304019 0.73 LCK (0.43) ALOX5LCKFYNDAOKMT2A
Glycine SCHEMBL8214801 0.73 ALOX5 (0.44) ALOX5LCKFYNDAOKMT2A
SCHEMBL27448533 0.72 MCL1 (0.47) TP53KMT2ALMNAMAPT

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