SCHEMBL8335571

SCHEMBL8335571

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 1/20 0.41
MAPK8 P45983 3/20 0.39
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 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
SCHEMBL2853899 1.00 TDP1 (0.45) TDP1ALDH1A1GAAMAPTMAPK8
SCHEMBL2853894 1.00 TDP1 (0.45) TDP1ALDH1A1GAAMAPTMAPK8
SCHEMBL29358989 0.91 TDP1 (0.44) TDP1ALDH1A1GAAMAPTMAPK8
SCHEMBL204968 0.91 TDP1 (0.44) TDP1ALDH1A1GAAMAPTMAPK8
SCHEMBL31289588 0.91 TDP1 (0.44) TDP1ALDH1A1GAAMAPTMAPK8
SCHEMBL2853896 0.91 TDP1 (0.44) TDP1ALDH1A1GAAMAPTMAPK8
SCHEMBL8335575 0.91 TDP1 (0.44) TDP1ALDH1A1GAAMAPTMAPK8
SCHEMBL29084241 0.88 TDP1 (0.45) TDP1ALDH1A1GAAMAPTMAPK8
SCHEMBL8959021 0.88 TDP1 (0.39) TDP1ALDH1A1GAAMAPTMAPK8
SCHEMBL28697974 0.86 TDP1 (0.42) TDP1ALDH1A1GAAMAPTMAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5874025-A Timber preservative containing a copper compound BAYER AKTIENGESELLSCHAFT (DE) 1999-02-23 US disclosed
US-5767137-A FOR INDUSTRIAL MATERIALS BAYER AKTIENGESELLSCHAFT (DE) 1998-06-16 US disclosed
US-5703103-A MICROBIOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-12-30 US disclosed
US-5672617-A Medicaments containing 1-thiocarbamoyl-5-hydroxy-pyrazoles and their use as agents for combating septic shock BAYER AKTIENGESELLSCHAFT (DE) 1997-09-30 US disclosed