SCHEMBL4433587

SCHEMBL4433587

COc1ccc(Br)cc1-c1[c]ccc(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
ACHE P22303 1/20 0.39
NPC1 O15118 2/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
SLC9A1 P19634 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPT P10636 4/20 0.38
LMNA P02545 2/20 0.38
PPARG P37231 1/20 0.38
GFER P55789 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38

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
SCHEMBL4429890 0.87 ACHE (0.48) GAAMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL4432401 0.83 AMY1A (0.47) GAAMGAMSIMGAM2MEN1
SCHEMBL4439277 0.80 ALDH1A1 (0.36) MAPK1ALDH1A1
SCHEMBL4438050 0.80 ALDH1A1 (0.36) MAPK1ALDH1A1
SCHEMBL4608864 0.79 ALDH1A1 (0.44) GAAMEN1KMT2ASMN1; SMN2ACHE
SCHEMBL4432021 0.78 CETP (0.39) GAAMAPK1ACHERAB9AALDH1A1
SCHEMBL4427280 0.78 ALDH1A1 (0.34) SMN1; SMN2MAPK1NPC1RAB9AALDH1A1
SCHEMBL14125145 0.75 GAA (0.56) GAAMGAMSIMGAM2MEN1
SCHEMBL4429822 0.75 ACHE (0.43) MEN1KMT2ASMN1; SMN2MAPK1ACHE
SCHEMBL4436861 0.75 NPC1 (0.42) GAAMGAMSIMGAM2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121660-A2 FUNGICIDAL AMIDES E. I. Du Pont de Nemours and Company (US) 2009-11-25 EP disclosed
WO-2008091594-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 WO disclosed
WO-2008091580-A2 FUNGICIDAL AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 WO disclosed
EP-1948649-A2 FUNGICIDAL CARBOXAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-30 EP disclosed
WO-2007014290-A2 FUNGICIDAL CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-02-01 WO disclosed