SCHEMBL20105017

SCHEMBL20105017

C=COc1ccc(-c2ccc(C(C)=O)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
HPGD P15428 1/20 0.53
RAB9A P51151 1/20 0.53
HSD17B1 P14061 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
STS P08842 1/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALOX5 P09917 1/20 0.42
MAOB P27338 1/20 0.41
XDH P47989 1/20 0.41
BRD4 O60885 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL3393599 0.94 MAPT (0.59) MAPTHPGDRAB9AHSD17B1SMN1; SMN2
SCHEMBL2446927 0.83 HSD17B10 (0.55) L3MBTL1KMT2AMEN1HSD17B10ALDH1A1
SCHEMBL11965976 0.79 ESR2 (0.33) MAPTRAB9ASMN1; SMN2LMNAHSD17B10
SCHEMBL9789228 0.78 MAPT (0.86) MAPTHPGDRAB9AHSD17B1SMN1; SMN2
SCHEMBL12869527 0.78 STS (0.45) MAPTHPGDRAB9ALMNAKMT2A
SCHEMBL18823077 0.77 ELANE (0.51) MAPTRAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL10541266 0.77 L3MBTL1 (0.56) MAPTHPGDRAB9AHSD17B1SMN1; SMN2
SCHEMBL197130 0.77 MAPT (0.80) MAPTHPGDRAB9AHSD17B1SMN1; SMN2
SCHEMBL11441494 0.77 MAPT (0.80) MAPTHPGDRAB9AHSD17B1SMN1; SMN2
SCHEMBL11306924 0.76 MAPT (0.61) MAPTHPGDRAB9AHSD17B1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2977428-B1 POLYMERIZABLE COMPOUND-CONTAINING LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME DAINIPPON INK & CHEMICALS (JP) 2018-05-02 EP disclosed