SCHEMBL8913819

SCHEMBL8913819

CC=C1CC(COc2ccc(-c3ncc(CCCCCCCCCC)cn3)cc2)OC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.46
RAB9A P51151 6/20 0.41
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 4/20 0.37
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
PTPN1 P18031 1/20 0.36
CDC25B P30305 1/20 0.36

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
SCHEMBL9528215 0.80 RARB (0.49) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL9528212 0.80 RARB (0.49) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL9274067 0.77 RARB (0.47) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL9528031 0.74 RARB (0.46) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL9528028 0.74 RARB (0.46) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL6948263 0.73 RARB (0.65) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL9268500 0.73 RARB (0.65) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL14295767 0.73 RARB (0.65) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL10355036 0.73 RARB (0.52) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL10354811 0.73 RARB (0.52) RARBRAB9AMAPTSMN1; SMN2KDM4E

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
JP-9241249-A None JP disclosed
JP-H09241249-A OPTICALLY ACTIVE COMPOUND, LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME, LIQUID CRYSTAL ELEMENT CONTAINING THE SAME AND DISPLAYING USING THE SAME AND DISPLAY DEVICE CANON INC 1997-09-16 JP disclosed