SCHEMBL21086605

SCHEMBL21086605

C=C/C=C\C=C(/C)NC(=O)Oc1cc(OC(=O)Nc2ccccc2)cc(OC(=O)Nc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 2/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 1/20 0.46
BCHE P06276 3/20 0.44
ACHE P22303 3/20 0.44
KMT2A Q03164 3/20 0.44
RAB9A P51151 1/20 0.44
RAD51 Q06609 1/20 0.43
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 1/20 0.41
THRB P10828 1/20 0.41
GFER P55789 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.40
TP53 P04637 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
SCHEMBL21008326 0.79 NPC1 (0.47) ALDH1A1MAPTHTTSMN1; SMN2KMT2A
SCHEMBL18677661 0.77 ALDH1A1 (0.68) ALDH1A1MAPTGAAHTTSMN1; SMN2
SCHEMBL19412850 0.75 MAPT (0.49) ALDH1A1MAPTGAASMN1; SMN2CYP1A2
SCHEMBL8059098 0.72 ALDH1A1 (0.78) ALDH1A1MAPTGAAHTTSMN1; SMN2
SCHEMBL11668331 0.72 ALDH1A1 (0.63) ALDH1A1MAPTGAAHTTSMN1; SMN2
SCHEMBL22965576 0.72 TGM2 (0.38) ALDH1A1MAPTGAAHTTCYP1A2
SCHEMBL12655119 0.70 KMT2A (0.78) ALDH1A1MAPTGAAHTTSMN1; SMN2
SCHEMBL25003833 0.70 ALDH1A1 (0.42) ALDH1A1MAPTGAAHTTSMN1; SMN2
Phenyl Phenylcarbamate SCHEMBL272994 0.68 ALDH1A1 (0.76) ALDH1A1MAPTGAAHTTSMN1; SMN2
SCHEMBL29265480 0.67 ALDH1A1 (0.58) ALDH1A1MAPTGAAHTTSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10711131-B2 High-strength rubber composition comprising an aromatic polyphenol derivative COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2020-07-14 US disclosed
US-20190177532-A1 HIGH-STRENGTH RUBBER COMPOSITION COMPRISING AN AROMATIC POLYPHENOL DERIVATIVE COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2019-06-13 US disclosed