SCHEMBL3664873

SCHEMBL3664873

COc1ccccc1-c1cc(C)[c]cc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.40
HTR7 P34969 5/20 0.39
HPGD P15428 4/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HSP90AA1 P07900 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
MAPT P10636 3/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL28470401 0.83 GAA (0.41) ALDH1A1SMN1; SMN2TSHRMAPTRAB9A
SCHEMBL3664870 0.74 APP (0.40) APPHTR7HPGDALDH1A1SMN1; SMN2
SCHEMBL3413602 0.73 HTR7 (0.36) APPHTR7HPGDALDH1A1SMN1; SMN2
SCHEMBL29559535 0.73 CA1 (0.52) APPHTR7HPGDALDH1A1SMN1; SMN2
SCHEMBL4429261 0.73 CA1 (0.52) APPHTR7HPGDALDH1A1SMN1; SMN2
SCHEMBL29788337 0.72 CA1 (0.71) APPHTR7HPGDALDH1A1SMN1; SMN2
SCHEMBL301996 0.72 CA1 (0.71) APPHTR7HPGDALDH1A1SMN1; SMN2
SCHEMBL29429633 0.72 CA1 (0.71) APPHTR7HPGDALDH1A1SMN1; SMN2
SCHEMBL15064184 0.71 PTPRC (0.46) APPHTR7ALDH1A1CA12CA1
SCHEMBL21708109 0.71 L3MBTL1 (0.39) HPGDALDH1A1SMN1; SMN2MAPTRAB9A

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-2238133-A2 FUNGICIDAL AMIDES E. I. du Pont de Nemours and Company (US) 2010-10-13 EP disclosed
WO-2009094407-A2 FUNGICIDAL AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-07-30 WO disclosed