SCHEMBL9050338

SCHEMBL9050338

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 3/20 0.57
ADAM10 O14672 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP13 P45452 1/20 0.39
MMP14 P50281 1/20 0.39
ADAM17 P78536 1/20 0.39
CHRM3 P20309 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MAPK1 P28482 3/20 0.36
CPT2 P23786 1/20 0.36
CPT1A P50416 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL9050345 1.00 PREP (0.57) PREPADAM10MMP1MMP2MMP3
SCHEMBL9050127 0.91 PREP (0.59) PREPADAM10MMP1MMP2MMP3
SCHEMBL9050121 0.91 PREP (0.59) PREPADAM10MMP1MMP2MMP3
SCHEMBL9045351 0.91 PREP (0.67) PREPADAM10MMP1MMP2MMP3
SCHEMBL9045344 0.91 PREP (0.67) PREPADAM10MMP1MMP2MMP3
SCHEMBL9049839 0.90 PREP (0.52) PREPADAM10MMP1MMP2MMP3
SCHEMBL9049764 0.84 PREP (0.48) PREPALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL9049756 0.84 PREP (0.48) PREPALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL9051596 0.82 PREP (0.69) PREPADAM10MMP1MMP2MMP3
SCHEMBL9051599 0.82 PREP (0.69) 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