SCHEMBL8959025

SCHEMBL8959025

CC/C(C)=C(\C(=O)O)c1ccccc1Oc1cccc(Oc2ncccc2I)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.39
MAPT P10636 1/20 0.39
MAPK8 P45983 3/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
POLB P06746 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL204969 0.90 TDP1 (0.44) TDP1ALDH1A1GAAMAPTMAPK8
SCHEMBL8959029 0.88 TDP1 (0.47) TDP1ALDH1A1GAAMAPTMAPK8
SCHEMBL204970 0.87 TDP1 (0.47) TDP1ALDH1A1GAAMAPTMAPK8
SCHEMBL7756253 0.87 TDP1 (0.47) TDP1ALDH1A1GAAMAPTMAPK8
SCHEMBL8335575 0.81 TDP1 (0.44) TDP1ALDH1A1GAAMAPTMAPK8
SCHEMBL2853896 0.81 TDP1 (0.44) TDP1ALDH1A1GAAMAPTMAPK8
SCHEMBL2853894 0.79 TDP1 (0.45) TDP1ALDH1A1GAAMAPTMAPK8
SCHEMBL2853899 0.79 TDP1 (0.45) TDP1ALDH1A1GAAMAPTMAPK8
SCHEMBL8335571 0.79 TDP1 (0.45) TDP1ALDH1A1GAAMAPTMAPK8
SCHEMBL7131300 0.75 MAPT (0.44) TDP1ALDH1A1GAAMAPTLTB4R

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-0690894-A1 PAINTS CONTAINING n-ALKYL-N-AZOLS AS PRESERVATIVES BAYER AG (DE) 1996-01-10 EP disclosed
WO-1994021734-A1 PAINTS CONTAINING n-ALKYL-N-AZOLS AS PRESERVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1994-09-29 WO disclosed