SCHEMBL22037591

SCHEMBL22037591

CCc1ccc(-c2cccc(OCc3c(C)cccc3N(N)C(=O)NN)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
SLC13A5 Q86YT5 2/20 0.38
SMPD1 P17405 1/20 0.38
MRGPRX4 Q96LA9 2/20 0.37
CHRNA7 P36544 1/20 0.37
MAPT P10636 2/20 0.37
SLC22A12 Q96S37 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
FFAR1 O14842 4/20 0.36
GAA P10253 1/20 0.36
HDAC4 P56524 1/20 0.36
DHODH Q02127 1/20 0.35

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
SCHEMBL22038663 0.91 FFAR4 (0.42) PTGER4RXRARXRBMRGPRX4MAPT
SCHEMBL22037214 0.91 PTGER4 (0.44) PTGER4RXRARXRBSMPD1MRGPRX4
SCHEMBL22038159 0.89 FFAR1 (0.43) PTGER4SMPD1CHRNA7SLC22A12NPC1
SCHEMBL22037630 0.89 MRGPRX4 (0.46) PTGER4RXRARXRBMRGPRX4SLC22A12
SCHEMBL22038731 0.89 SMPD1 (0.41) PTGER4RXRARXRBSMPD1MRGPRX4
SCHEMBL22038670 0.88 PTGER4 (0.40) PTGER4RXRAMRGPRX4SLC22A12NPC1
SCHEMBL22038671 0.86 SLC22A12 (0.38) PTGER4RXRARXRBMAPTSLC22A12
SCHEMBL22038654 0.83 SMPD1 (0.43) SMPD1MAPTSLC22A12
SCHEMBL22037652 0.82 TDP1 (0.37) PTGER4MRGPRX4SLC22A12FFAR1
SCHEMBL22037713 0.81 ALDH1A1 (0.49) MRGPRX4MAPTNPC1RAB9A

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