SCHEMBL8308311

SCHEMBL8308311

Cc1ccsc1C=C(C(=O)O)C(=O)CN

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 8/20 0.39
RAB9A P51151 8/20 0.39
PKM P14618 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
PAX8 Q06710 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL8308309 1.00 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9APKMATM
SCHEMBL8307742 0.75 NPC1 (0.47) SMN1; SMN2NPC1RAB9APKMATM
SCHEMBL8307744 0.75 NPC1 (0.47) SMN1; SMN2NPC1RAB9APKMATM
SCHEMBL25263264 0.74 NPC1 (0.46) SMN1; SMN2NPC1RAB9APKMATM
SCHEMBL8309035 0.71 MAPT (0.43) SMN1; SMN2NPC1RAB9APKMATM
SCHEMBL8307777 0.69 ALOX5 (0.40) KMT2AMAPTLMNA
SCHEMBL8307775 0.69 ALOX5 (0.40) KMT2AMAPTLMNA
SCHEMBL27417461 0.68 TP53 (0.53) MEN1KMT2AHTT
SCHEMBL10566209 0.68 NPC1 (0.47) SMN1; SMN2NPC1RAB9APKMATM
SCHEMBL10566200 0.68 NPC1 (0.47) SMN1; SMN2NPC1RAB9APKMATM

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