SCHEMBL17826992

SCHEMBL17826992

C/C1=C(\C)C(=O)CCCCC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 2/20 0.41
TRIM33 Q9UPN9 2/20 0.41
ALDH1A1 P00352 4/20 0.39
GAA P10253 1/20 0.36
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
KMT2A Q03164 2/20 0.32
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
MEN1 O00255 1/20 0.31
PABPC1 P11940 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CA9 Q16790 1/20 0.30

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
SCHEMBL30738875 0.84 TRIM24 (0.35) TRIM24TRIM33ALDH1A1GAATSHR
SCHEMBL12154897 0.80 SMN1; SMN2 (0.34) TRIM24TRIM33ALDH1A1GAASMN1; SMN2
SCHEMBL1396725 0.78
SCHEMBL2921936 0.76 GSTP1 (0.35) ALDH1A1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL2921937 0.76 GSTP1 (0.35) ALDH1A1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL2921942 0.76 GSTP1 (0.35) ALDH1A1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL33935 0.76
SCHEMBL17971494 0.76 TRIM24 (0.54) TRIM24TRIM33ALDH1A1SMN1; SMN2CA1
SCHEMBL3434371 0.76
SCHEMBL3131723 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3088397-A1 COMPOUNDS THAT ABROGATE THE CELL CYCLE G2 CHECKPOINT FOR USE IN THE TREATMENT OF CANCER Canbas Co. Ltd. (JP) 2016-11-02 EP disclosed
EP-2152692-B1 COMPOUNDS WITH ANTI-CANCER ACTIVITY CANBAS CO LTD (JP) 2016-06-15 EP disclosed