SCHEMBL9049839

SCHEMBL9049839

CCOC(OCC)[C@@H]1CSCN1C(=O)[C@@H]1CCCN1C(=O)CCc1cc2ccccc2o1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PREP P48147 8/20 0.52
ADAM10 O14672 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP13 P45452 1/20 0.36
MMP14 P50281 1/20 0.36
ADAM17 P78536 1/20 0.36
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
CHRM3 P20309 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL9047132 0.92 PREP (0.57) PREPADAM10MMP1MMP2MMP3
SCHEMBL9046577 0.92 PREP (0.61) PREPADAM10MMP1MMP2MMP3
SCHEMBL9050345 0.90 PREP (0.57) PREPADAM10MMP1MMP2MMP3
SCHEMBL9050338 0.90 PREP (0.57) PREPADAM10MMP1MMP2MMP3
SCHEMBL9051265 0.85 PREP (0.52) PREPLMNAALDH1A1KDM4EHPGD
SCHEMBL9049975 0.84 PREP (0.62) PREPADAM10MMP1MMP2MMP3
SCHEMBL9048383 0.82 PREP (0.57) PREP
SCHEMBL9048372 0.82 PREP (0.57) PREP
SCHEMBL9050121 0.81 PREP (0.59) PREPADAM10MMP1MMP2MMP3
SCHEMBL9050127 0.81 PREP (0.59) PREPADAM10MMP1MMP2MMP3

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-0536399-B1 NOVEL ARYLALKANOYLAMINE DERIVATIVE AND DRUG CONTAINING THE SAME ZERIA PHARM CO LTD (JP) 1996-01-24 EP disclosed
US-5407950-A Brain disorders, senile dementia ZERIA PHARMACEUTICAL CO., LTD. (JP) 1995-04-18 US disclosed
EP-0536399-A1 NOVEL ARYLALKANOYLAMINE DERIVATIVE AND DRUG CONTAINING THE SAME ZERIA PHARMACEUTICAL CO., LTD. (JP) 1993-04-14 EP disclosed