SCHEMBL8307742

SCHEMBL8307742

Cc1ccsc1/C=C(\O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.47
RAB9A P51151 8/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
PKM P14618 2/20 0.47
ATM Q13315 1/20 0.47
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
GAA P10253 3/20 0.44
MAPT P10636 4/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL8307744 1.00 NPC1 (0.47) NPC1RAB9AL3MBTL1PKMATM
SCHEMBL25263264 0.83 NPC1 (0.46) NPC1RAB9AL3MBTL1PKMATM
SCHEMBL10566200 0.77 NPC1 (0.47) NPC1RAB9AL3MBTL1PKMATM
SCHEMBL8304851 0.77 KDR (0.39) POLB
SCHEMBL10566209 0.77 NPC1 (0.47) NPC1RAB9AL3MBTL1PKMATM
SCHEMBL8304853 0.77 KDR (0.39) POLB
SCHEMBL18433248 0.75 NPC1 (0.54) NPC1RAB9AL3MBTL1PKMATM
SCHEMBL8308311 0.75 SMN1; SMN2 (0.40) NPC1RAB9AL3MBTL1PKMATM
SCHEMBL8308309 0.75 SMN1; SMN2 (0.40) NPC1RAB9AL3MBTL1PKMATM
SCHEMBL11483820 0.74 NPC1 (0.52) NPC1RAB9AL3MBTL1PKMATM

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