SCHEMBL3455308

SCHEMBL3455308

CCC(=O)Oc1ccc(Cl)cc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 5/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
PPARA Q07869 1/20 0.49
ALOX15 P16050 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
HTT P42858 1/20 0.46
THRB P10828 1/20 0.46
NPC1 O15118 4/20 0.46
MAPT P10636 2/20 0.45
RAB9A P51151 2/20 0.45
LMNA P02545 1/20 0.45
ABL1 P00519 1/20 0.43

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
SCHEMBL8499860 0.87 ALOX15 (0.43) GAAALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL15546827 0.84 ALOX15 (0.58) GAAALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL1678635 0.83 L3MBTL1 (0.55) ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL9799896 0.83 L3MBTL1 (0.55) ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL23887393 0.81 ABL1 (0.61) GAAALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL30307545 0.81 ABL1 (0.61) GAAALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL11583309 0.81 ESR1 (0.51) GAAALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL9799902 0.81 CYP1A2 (0.56) GAAALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL3834865 0.81 CYP1A2 (0.56) GAAALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL28775514 0.81 ALOX15 (0.47) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A

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-2170817-A1 FLUORINE-CONTAINING ORGANOSULFUR COMPOUND AND PESTICIDAL COMPOSITION COMPRISING THE SAME Sumitomo Chemical Company, Limited (JP) 2010-04-07 EP disclosed
WO-2009014268-A1 FLUORINE-CONTAINING ORGANOSULFUR COMPOUND AND PESTICIDAL COMPOSITION COMPRISING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-29 WO disclosed