SCHEMBL8941219

SCHEMBL8941219

BrC(Br)CCOc1cc[c]cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
MAPK1 P28482 1/20 0.37
EPHX2 P34913 1/20 0.35
GAA P10253 1/20 0.33
KCNA3 P22001 1/20 0.33
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
PRSS1 P07477 1/20 0.31
NQO1 P15559 1/20 0.31
MEN1 O00255 1/20 0.31
SLC2A1 P11166 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
SCHEMBL10785918 0.79 KCNA3 (0.43) TDP1MAPK1GAAKCNA3MAPT
SCHEMBL920141 0.79 TDP1 (0.60) TDP1MAPK1EPHX2GAAKMT2A
SCHEMBL17134050 0.79 TDP1 (0.37) TDP1MAPK1EPHX2GAAKCNA3
SCHEMBL9816272 0.78 KCNA3 (0.58) TDP1KCNA3PPARGPPARA
SCHEMBL5853860 0.77 KCNA3 (0.38) TDP1GAAKCNA3PRSS1SLC2A1
SCHEMBL3038199 0.77 TDP1 (0.41) TDP1MAPK1GAAKCNA3MAPT
SCHEMBL27606091 0.76 TDP1 (0.35) TDP1MAPK1EPHX2GAAKCNA3
SCHEMBL3016040 0.76 KCNA3 (0.36) KCNA3PRSS1SLC2A1
SCHEMBL7014135 0.76 KCNA3 (0.37) GAAKCNA3MAPTPRSS1
SCHEMBL1462725 0.75 TDP1 (0.42) TDP1MAPK1EPHX2KMT2ANQO1

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
EP-0697998-A4 COLLOIDAL ZINC OXIDE PQ CORP (US) 1996-10-23 EP disclosed
EP-0697998-A1 COLLOIDAL ZINC OXIDE PQ Corporation (US) 1996-02-28 EP disclosed
WO-1995024359-A1 COLLOIDAL ZINC OXIDE PQ CORPORATION (US) 1995-09-14 WO disclosed