SCHEMBL8311447

SCHEMBL8311447

C/C(=C1\SC(=S)NC1=O)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 2/20 0.53
MMP13 P45452 2/20 0.53
ADAMTS5 Q9UNA0 7/20 0.46
AKR1C3 P42330 1/20 0.46
TLR4 O00206 1/20 0.42
TLR2 O60603 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PSMD14 O00487 1/20 0.41
NSD2 O96028 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
MMP2 P08253 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL8311449 1.00 MMP3 (0.53) MMP3MMP13ADAMTS5AKR1C3TLR4
SCHEMBL8171891 0.84 MEN1 (0.53) MMP3MMP13MEN1KMT2ASMN1; SMN2
SCHEMBL12961165 0.84 MEN1 (0.53) MMP3MMP13MEN1KMT2ASMN1; SMN2
SCHEMBL11451864 0.82 TDP1 (0.47) MEN1KMT2ASMN1; SMN2PSMD14NSD2
SCHEMBL11451865 0.82 TDP1 (0.47) MEN1KMT2ASMN1; SMN2PSMD14NSD2
SCHEMBL14226369 0.82 MMP3 (0.41) MMP3MMP13ADAMTS5MEN1KMT2A
SCHEMBL8307760 0.80 NAT1 (0.50) MEN1KMT2ASMN1; SMN2PSMD14NSD2
SCHEMBL14226357 0.80 NAT1 (0.50) ADAMTS5HDAC8MEN1KMT2ASMN1; SMN2
SCHEMBL1449167 0.80 NAT1 (0.50) MEN1KMT2ASMN1; SMN2PSMD14NSD2
SCHEMBL11496727 0.80 MEN1 (0.44) MMP3MMP13ADAMTS5MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915090-A1 Compounds useful as hypoglycemic agents and for treating Alzheimer's disease ELI LILLY AND COMPANY (US) 1999-05-12 EP disclosed
US-5523314-A RHODANINE DERIVATIVES ELI LILLY AND COMPANY (US) 1996-06-04 US disclosed
EP-0587377-A2 Thiazolidinone derivatives as hypoglycemic agents and for treating Alzheimer's disease ELI LILLY AND COMPANY (US) 1994-03-16 EP disclosed