SCHEMBL19436965

SCHEMBL19436965

COc1ccc(OC)c(/C=C(/C(=O)O)c2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.59
ABCG2 Q9UNQ0 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 1/20 0.47
TTR P02766 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
JUN P05412 1/20 0.45
NFKB1 P19838 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
AKR1C3 P42330 2/20 0.45

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
SCHEMBL19436967 1.00 TLR9 (0.59) TLR9ABCG2MEN1KMT2AMAPT
SCHEMBL19436966 0.81 TLR9 (0.49) TLR9MEN1KMT2AMAPTHPGD
SCHEMBL19436964 0.81 TLR9 (0.49) TLR9MEN1KMT2AMAPTHPGD
SCHEMBL12487115 0.80 TLR9 (0.58) TLR9ABCG2MEN1KMT2AMAPT
SCHEMBL12487118 0.80 TLR9 (0.58) TLR9ABCG2MEN1KMT2AMAPT
SCHEMBL19436975 0.79 MEN1 (0.51) TLR9MEN1KMT2AMAPTHPGD
SCHEMBL19436973 0.79 MEN1 (0.51) TLR9MEN1KMT2AMAPTHPGD
SCHEMBL4653351 0.79 MEN1 (0.53) MEN1KMT2AMAPTMAOAMAOB
SCHEMBL4653348 0.79 MEN1 (0.53) MEN1KMT2AMAPTMAOAMAOB
SCHEMBL80568 0.76 MAPT (0.53) MEN1KMT2AMAPTALDH1A1SMN1; 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
WO-2017176930-A1 DIPHENYLACRYLIC ACID DERIVATIVES THAT PROMOTE BONE AND CARTILAGE GROWTH EMORY UNIVERSITY (US) 2017-10-12 WO claimed
WO-2017176930-A1 DIPHENYLACRYLIC ACID DERIVATIVES THAT PROMOTE BONE AND CARTILAGE GROWTH EMORY UNIVERSITY (US) 2017-10-12 WO disclosed