SCHEMBL9699007

SCHEMBL9699007

C=CCOC(=O)N(C)CCN(CCC(=O)O)C(=O)OCC=C

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.32
ALDH2 P05091 1/20 0.32
F13A1 P00488 1/20 0.32
TGM2 P21980 1/20 0.32
TGM1 P22735 1/20 0.32
MAPT P10636 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31

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
SCHEMBL1161939 0.89 TSHR (0.39) TSHRALDH1A1F13A1TGM2TGM1
SCHEMBL9697877 0.88 TSHR (0.34) TSHR
SCHEMBL8865298 0.81 EPHX2 (0.43) TSHRMAPT
SCHEMBL22508819 0.80 EPHX2 (0.46) TSHRALDH1A1MAPT
SCHEMBL9697580 0.78 CASP1 (0.37) TSHRMAPTCACNA1BAPBA1
SCHEMBL9697817 0.78 TSHR (0.33) TSHR
SCHEMBL1162314 0.75 TSHR (0.37) TSHRALDH1A1MAPTCACNA1BAPBA1
SCHEMBL21674360 0.73 L3MBTL1 (0.38) TSHRMAPTCACNA1BAPBA1
SCHEMBL7399794 0.72 MAPT (0.39) TSHRALDH1A1MAPTCACNA1BAPBA1
SCHEMBL9698950 0.72 TSHR (0.33) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992002521-A1 1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-02-20 WO disclosed