SCHEMBL9780893

SCHEMBL9780893

NC(=O)c1ccc(C(N)=O)c(CC(O)CCCCCCCCO)c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.33
FOLH1 Q04609 1/20 0.32
CHEK2 O96017 1/20 0.31
LCK P06239 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30

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
SCHEMBL9780998 0.83 SCN9A (0.44) SCN9ALCK
SCHEMBL29027761 0.80 CYP4F2 (0.37) CHEK2LCKJAK2JAK1TYK2
SCHEMBL9780923 0.76 CSNK1E (0.40)
SCHEMBL9780896 0.76 FAAH (0.34) FOLH1LCK
SCHEMBL28388301 0.73 HRH4 (0.46) LCK
SCHEMBL27467963 0.73 HTR1A (0.40) LCK
SCHEMBL28381769 0.73 HRH4 (0.39)
SCHEMBL9781007 0.73 PARP10 (0.37) LCK
SCHEMBL10918140 0.72 PKM (0.43) LCK
SCHEMBL9781024 0.72 HTR1A (0.37) LCK

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-5049280-A 2,3-dihydroxyterephthalamides as highly effective metal ion sequestering compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1991-09-17 US disclosed