SCHEMBL2170849

SCHEMBL2170849

CNC(=O)Oc1ccccc1C1OC(C)C(C)O1.Cc1cc(OCCO)cc(C)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 15/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
BCL2 P10415 3/20 0.37
BCL2L1 Q07817 1/20 0.37
BAD Q92934 1/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
S1PR2 O95136 1/20 0.36
S1PR4 O95977 1/20 0.36
MAOB P27338 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
SCHEMBL29356095 0.80 ACHE (0.49) MAPK1
SCHEMBL461129 0.80 ACHE (0.49) MAPK1
SCHEMBL11701599 0.68 ACHE (0.39) MAPK1MAOB
SCHEMBL77567 0.68 TSHR (0.69) MCL1CYP1A2POLBCYP2D6TSHR
SCHEMBL11450837 0.65 ACHE (0.46) MAPK1
SCHEMBL6733945 0.65 ACHE (0.49) MAPK1
SCHEMBL29435143 0.65 ACHE (0.49) MAPK1
SCHEMBL119641 0.65 ACHE (0.49) MAPK1
SCHEMBL7526468 0.65 ACHE (0.46) MAPK1
SCHEMBL11451394 0.64 ALDH1A1 (0.44) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2347655-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS Syngenta Participations AG. (CH) 2011-07-27 EP claimed