SCHEMBL22037247

SCHEMBL22037247

COc1ccc(-c2cccc(OCc3c(C)cccc3N(N)C(=O)N(C)N)c2)c(OC)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.36
BRD9 Q9H8M2 1/20 0.36
BRD7 Q9NPI1 1/20 0.36
FFAR1 O14842 5/20 0.33
VDR P11473 3/20 0.33
ERN1 O75460 1/20 0.33
CTSA P10619 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
PPARD Q03181 2/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
ESR1 P03372 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
RXRA P19793 1/20 0.31
PPARG P37231 1/20 0.31

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
SCHEMBL22038744 0.86 BRD9 (0.35) BRD9BRD7ERN1NR1H4THRB
SCHEMBL22038774 0.81 SLC22A12 (0.43) SLC22A12FFAR1VDRPPARDESR1
SCHEMBL22038743 0.80 ERN1 (0.34) BRD9BRD7ERN1
SCHEMBL22038772 0.79 FFAR1 (0.39) SLC22A12FFAR1
SCHEMBL22037244 0.78 HSD17B2 (0.39) SLC22A12FFAR1VDRPPARD
SCHEMBL20845127 0.77 CRHR1 (0.30)
SCHEMBL22037628 0.77 SLC22A12 (0.38) SLC22A12FFAR1PPARDPPARG
SCHEMBL22037245 0.77 PIK3CD (0.33) SLC22A12BRD9BRD7
SCHEMBL22037673 0.76 FFAR1 (0.38) SLC22A12FFAR1
SCHEMBL21317993 0.76 PARP15 (0.41) FFAR1

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-2990404-B1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL CO (JP) 2020-05-27 EP disclosed