SCHEMBL7205351

SCHEMBL7205351

Oc1ccccc1CN1CCSCCSCCSCCSCCN(Cc2ccccc2O)CCSCCSCCSCCSCC1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.72
CYP2A13 Q16696 1/20 0.62
KDM4E B2RXH2 4/20 0.59
ALDH1A1 P00352 3/20 0.50
FAAH O00519 1/20 0.49
BACE1 P56817 2/20 0.46
HRH3 Q9Y5N1 1/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46

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
SCHEMBL3967782 0.85 MPO (1.00) MPOKDM4EALDH1A1FAAHBACE1
SCHEMBL10415354 0.81 MPO (0.84) MPOKDM4EALDH1A1FAAHBACE1
SCHEMBL7946364 0.79 MPO (0.81) MPOKDM4EALDH1A1FAAHHRH3
SCHEMBL9388542 0.79 MPO (0.88) MPOKDM4EALDH1A1FAAHBACE1
SCHEMBL7374539 0.77 CYP2A13 (0.60) MPOCYP2A13KDM4EALDH1A1
SCHEMBL29953973 0.77 CYP2A13 (0.60) MPOCYP2A13KDM4EALDH1A1
SCHEMBL27417241 0.77 HRH3 (0.57) MPOCYP2A13KDM4EHRH3
SCHEMBL4764209 0.76 CYP2A13 (0.64) CYP2A13KDM4EALDH1A1FAAH
SCHEMBL4103976 0.76 CYP2A13 (1.00) CYP2A13KDM4EALDH1A1
SCHEMBL21658466 0.76 MPO (0.81) MPOKDM4EALDH1A1FAAHBACE1

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
US-6607653-B1 Tin-copper alloy plating bath, tin-copper-bismuth alloy plating bath or tin-copper-silver alloy plating bath containing a soluble metal compound and a specific sulfur-containing compound. The plating bath of the alloy with DAIWA FINE CHEMICALS CO., LTD. (JP) 2003-08-19 US disclosed