SCHEMBL19987592

SCHEMBL19987592

CC(=O)c1ccccc1COc1cc(C)c(O)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAOB P27338 2/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
MRGPRX4 Q96LA9 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
FOLH1 Q04609 1/20 0.41
FFAR4 Q5NUL3 3/20 0.40
SGMS2 Q8NHU3 1/20 0.40
FFAR1 O14842 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 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
SCHEMBL17616599 0.90 TP53 (0.46) MAPTSMN1; SMN2CYP2C9CYP2C19TDP1
SCHEMBL16273716 0.89 TP53 (0.56) TP53HTTMRGPRX4PTGDR2FOLH1
SCHEMBL17616602 0.83 TP53 (0.52) MAPTL3MBTL1MAOBTP53HTT
SCHEMBL17616621 0.82 MRGPRX4 (0.46) MAPTMAOBTP53HTTMRGPRX4
SCHEMBL17616657 0.82 MRGPRX4 (0.51) MAPTSMN1; SMN2CYP2C9CYP2C19TDP1
SCHEMBL8948906 0.81 RXRA (0.51) MAPTSMN1; SMN2MAOBTP53HTT
SCHEMBL17616663 0.81 MRGPRX4 (0.54) MAPTMAOBTP53HTTMRGPRX4
SCHEMBL17616660 0.78 MRGPRX4 (0.46) MAPTSMN1; SMN2CYP2C9CYP2C19TDP1
SCHEMBL16273718 0.78 TP53 (0.64) TP53HTTMRGPRX4PTGDR2FOLH1
SCHEMBL16273701 0.78 PTGDR2 (0.39) MAPTCYP2C9CYP2C19PTGDR2FFAR4

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-3006440-B1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME SUMITOMO CHEMICAL CO (JP) 2018-03-21 EP disclosed