SCHEMBL21154681

SCHEMBL21154681

COc1ccc(/C=C/C(=O)/C(C(=O)/C=C/c2ccc(OC)c(OC)c2)=C(O)/C=C/c2ccc(OC)c(OC)c2)cc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.61
KDM4E B2RXH2 3/20 0.61
ALDH1A1 P00352 3/20 0.61
HPGD P15428 1/20 0.61
ALOX15 P16050 1/20 0.61
MAPK1 P28482 1/20 0.61
HSD17B10 Q99714 1/20 0.61
NFE2L2 Q16236 1/20 0.56
KMT2A Q03164 5/20 0.55
ABCG2 Q9UNQ0 2/20 0.55
MEN1 O00255 2/20 0.55
JUN P05412 1/20 0.54
NFKB1 P19838 1/20 0.54
IKBKB O14920 2/20 0.53
CHUK O15111 2/20 0.53
IKBKG Q9Y6K9 2/20 0.53
GLO1 Q04760 2/20 0.53
NPC1 O15118 1/20 0.51
STAT1 P42224 1/20 0.51
RAB9A P51151 1/20 0.51

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
SCHEMBL9972294 0.93 SMN1; SMN2 (0.69) SMN1; SMN2KDM4EALDH1A1HPGDALOX15
SCHEMBL16621565 0.88 CYP1A2 (0.63) SMN1; SMN2KDM4EALDH1A1HPGDALOX15
SCHEMBL15298981 0.87 TNFRSF1A (0.64) SMN1; SMN2KDM4EALDH1A1HPGDALOX15
SCHEMBL18470971 0.85 GLO1 (0.63) SMN1; SMN2KDM4EALDH1A1HPGDALOX15
SCHEMBL18699339 0.84 JUN (0.71) SMN1; SMN2KDM4EALDH1A1HPGDALOX15
SCHEMBL11928836 0.83 KDM4E (0.50) SMN1; SMN2KDM4EALDH1A1HPGDALOX15
SCHEMBL9972319 0.83 KDM4E (0.56) SMN1; SMN2KDM4EALDH1A1HPGDALOX15
SCHEMBL15298299 0.83 KDM4E (0.56) SMN1; SMN2KDM4EALDH1A1HPGDALOX15
SCHEMBL16621556 0.81 JUN (0.80) SMN1; SMN2KDM4EALDH1A1HPGDALOX15
SCHEMBL5218481 0.80 ALDH1A1 (0.76) SMN1; SMN2KDM4EALDH1A1HPGDALOX15

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-3508855-A1 METHOD FOR THE SELECTION OF PATIENTS AND KIT Allianz Pharmascience Ltd (TW) 2019-07-10 EP disclosed