SCHEMBL22037652

SCHEMBL22037652

Cc1cc(OCc2c(C)cccc2N(N)C(=O)NN)cc(-c2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
FFAR1 O14842 7/20 0.36
CD274 Q9NZQ7 1/20 0.36
PTGER4 P35408 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
GRM5 P41594 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL22037214 0.91 PTGER4 (0.44) FFAR1PTGER4MRGPRX4SLC22A12
SCHEMBL22038160 0.87 FFAR1 (0.37) FFAR1CD274PTGER4PPARGPPARD
SCHEMBL22038663 0.87 FFAR4 (0.42) FFAR1PTGER4MRGPRX4SLC22A12
SCHEMBL22037200 0.85 TDP1 (0.38) TDP1LMNASLC22A12
SCHEMBL22038670 0.83 PTGER4 (0.40) FFAR1PTGER4PPARGPPARDLMNA
SCHEMBL22038159 0.83 FFAR1 (0.43) FFAR1PTGER4PPARDLMNASLC22A12
SCHEMBL22037630 0.83 MRGPRX4 (0.46) FFAR1PTGER4MRGPRX4SLC22A12
SCHEMBL22038731 0.83 SMPD1 (0.41) FFAR1PTGER4PPARGPPARDMRGPRX4
SCHEMBL22037591 0.82 PTGER4 (0.39) FFAR1PTGER4MRGPRX4SLC22A12
SCHEMBL22038671 0.82 SLC22A12 (0.38) FFAR1PTGER4PPARGSLC22A12

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