SCHEMBL6470985

SCHEMBL6470985

COc1cc(CN(C(N)=S)c2ccc(C(C)(C)C)cc2)ccc1OCCN

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL6470393 0.87 ALDH1A1 (0.42) ALDH1A1
SCHEMBL6469665 0.83 MEN1 (0.43)
SCHEMBL6470110 0.82 KDM4E (0.40) ALDH1A1
SCHEMBL7940200 0.77
SCHEMBL6304800 0.74
SCHEMBL6301860 0.74
SCHEMBL6470064 0.73 ALDH1A1 (0.43) ALDH1A1
SCHEMBL9927483 0.73
SCHEMBL8814266 0.73 ALDH1A1 (0.60) ALDH1A1
SCHEMBL9340833 0.72

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
US-20050031717-A1 Using capsaicin receptors; complexing VIRGINIA COMMONWEALTH UNIVERSITY 2005-02-10 US disclosed
WO-2005006881-A2 SALT TASTE MODIFICATION VIRGINIA COMMONWEALTH UNIVERSITY (US) 2005-01-27 WO disclosed