SCHEMBL21393471

SCHEMBL21393471

Cc1cccc(Oc2ccc(Cc3ccc(Oc4cccc(N)c4)cc3)cc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.68
MAOB P27338 1/20 0.56
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
GAA P10253 2/20 0.49
MITF O75030 1/20 0.49
GFER P55789 1/20 0.49
NLRP1 Q9C000 1/20 0.49
NOD2 Q9HC29 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GRIN1 Q05586 1/20 0.45
GRIN2B Q13224 1/20 0.45
CYP3A4 P08684 2/20 0.45
TP53 P04637 1/20 0.45
LTA4H P09960 1/20 0.45
ATM Q13315 1/20 0.43

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
SCHEMBL29364255 0.90 MAOB (0.68) ALDH1A1MAOBMAPTMEN1KMT2A
SCHEMBL9248858 0.90 MAOB (0.68) ALDH1A1MAOBMAPTMEN1KMT2A
SCHEMBL10013918 0.90 ALDH1A1 (0.65) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL307492 0.90 MAOB (0.68) ALDH1A1MAOBMAPTMEN1KMT2A
SCHEMBL30148468 0.89 MAOB (0.66) ALDH1A1MAOBMAPTMEN1KMT2A
SCHEMBL23322163 0.87 ALDH1A1 (0.66) ALDH1A1MAOBMAPTMEN1KMT2A
SCHEMBL1178763 0.87 ALDH1A1 (0.75) ALDH1A1MAOBMAPTMEN1KMT2A
SCHEMBL30098526 0.87 ALDH1A1 (0.75) ALDH1A1MAOBMAPTMEN1KMT2A
SCHEMBL29326788 0.85 MAOB (0.61) ALDH1A1MAOBMAPTMEN1KMT2A
SCHEMBL9884555 0.85 ALDH1A1 (0.72) ALDH1A1MAOBMAPTMEN1KMT2A

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
WO-2019182155-A1 CURABLE COMPOSITION, CURED PRODUCT, METHOD FOR PRODUCING CURED PRODUCT, AND METHOD FOR REPAIRING DAMAGE OF CURED PRODUCT 三菱ケミカル株式会社 2019-09-26 WO disclosed