SCHEMBL9313451

SCHEMBL9313451

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

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
CASP1 P29466 13/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 2/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL9314219 0.83 CASP1 (0.36) TDP1CASP1TSHRMEN1KMT2A
SCHEMBL10049737 0.79 TDP1 (0.45) TDP1CASP1TSHRMEN1KMT2A
SCHEMBL28287911 0.77 TDP1 (0.40) TDP1CASP1TSHRMEN1KMT2A
SCHEMBL13995634 0.76 EPHX1 (0.41) TSHRMAPT
SCHEMBL1069147 0.76
SCHEMBL23558913 0.76 CASP1 (0.36) TDP1CASP1TSHRMEN1KMT2A
SCHEMBL18159716 0.76 TDP1 (0.39) TDP1CASP1TSHRMEN1KMT2A
SCHEMBL9313394 0.75 TDP1 (0.38) TDP1CASP1TSHRMEN1KMT2A
SCHEMBL18756256 0.75 CASP1 (0.35) TDP1CASP1TSHRMEN1KMT2A
SCHEMBL11079356 0.75 TDP1 (0.38) TDP1CASP1TSHRMEN1KMT2A

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