SCHEMBL7620751

SCHEMBL7620751

CC(C)[C@H](N)C(=O)Oc1cccccccs1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 1/20 0.37
SLC1A3 P43003 3/20 0.36
SLC1A2 P43004 3/20 0.36
SLC1A1 P43005 3/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 1/20 0.36
ALOX5 P09917 1/20 0.36
PSMB5 P28074 1/20 0.35
GLS O94925 1/20 0.34
SLC7A5 Q01650 1/20 0.34
KMT2A Q03164 2/20 0.33
HPGD P15428 2/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL41616 0.80 MMP1 (0.43) SLC1A3SLC1A2SLC1A1MMP1MMP2
SCHEMBL3399442 0.80 MMP1 (0.43) SLC1A3SLC1A2SLC1A1MMP1MMP2
SCHEMBL5679261 0.79 DPP8 (0.40) SLC1A3SLC1A2SLC1A1MMP1MMP2
SCHEMBL6840535 0.76 ATM (0.54) SLC15A1SLC1A3PSMB5SLC7A5KMT2A
SCHEMBL6840533 0.76 ATM (0.54) SLC15A1SLC1A3PSMB5SLC7A5KMT2A
SCHEMBL8228297 0.76 MMP1 (0.45) MMP1MMP2MMP9MMP12ALOX5
SCHEMBL8818944 0.76 HPGD (0.47) MMP1MMP2MMP9MMP12KMT2A
SCHEMBL8202887 0.76 HPGD (0.47) MMP1MMP2MMP9MMP12KMT2A
SCHEMBL6062940 0.76 KIF11 (0.42) SLC1A3SLC1A2SLC1A1MMP1MMP2
SCHEMBL10670691 0.76 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1237925-A1 MUTANT ER$g(a) AND TEST SYSTEMS FOR TRANSACTIVATION Sumitomo Chemical Company, Limited (JP) 2002-09-11 EP disclosed
WO-2001042307-A1 MUTANT ERα AND TEST SYSTEMS FOR TRANSACTIVATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-06-14 WO disclosed