SCHEMBL9314219

SCHEMBL9314219

C=CCOC(=O)NCC(CNC(=O)OCC=C)C(C)=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 8/20 0.36
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 2/20 0.35
TSHR P16473 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
CYP3A4 P08684 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL9314683 0.84 ALDH1A1 (0.33) CASP1ALDH1A1TDP1MAPT
SCHEMBL9313451 0.83 TDP1 (0.37) CASP1ALDH1A1TDP1MEN1KMT2A
SCHEMBL10049737 0.81 TDP1 (0.45) CASP1ALDH1A1TDP1MEN1KMT2A
SCHEMBL9386901 0.81 CASP1 (0.44) CASP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL28287911 0.80 TDP1 (0.40) CASP1ALDH1A1TDP1MEN1KMT2A
SCHEMBL23558913 0.79 CASP1 (0.36) CASP1ALDH1A1TDP1MEN1KMT2A
SCHEMBL18159716 0.79 TDP1 (0.39) CASP1ALDH1A1TDP1MEN1KMT2A
SCHEMBL18756256 0.77 CASP1 (0.35) CASP1ALDH1A1TDP1MEN1KMT2A
SCHEMBL9313394 0.77 TDP1 (0.38) CASP1ALDH1A1TDP1MEN1KMT2A
SCHEMBL11079356 0.77 TDP1 (0.38) CASP1ALDH1A1TDP1MEN1KMT2A

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
US-5286721-A Antimicrobial agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-02-15 US disclosed
EP-0506982-A1 1-AZABICYCLO 3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-10-07 EP disclosed
WO-1992006978-A1 1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-30 WO disclosed