SCHEMBL9999667

SCHEMBL9999667

CCC(C)CN(CC1CO1)c1ccc(Cc2ccc(N(CC3CO3)CC3CO3)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CHRM2 P08172 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL14188259 0.99 MEN1 (0.33) MEN1KMT2AALDH1A1CYP3A4TSHR
SCHEMBL18473818 0.87 ALDH1A1 (0.35) MEN1KMT2AALDH1A1CYP3A4TSHR
SCHEMBL21000360 0.86 MGLL (0.30)
SCHEMBL18473817 0.84 MGLL (0.35) MEN1KMT2AALDH1A1CYP3A4TSHR
SCHEMBL10104809 0.84 LMNA (0.42) MEN1KMT2AALDH1A1TSHRTDP1
SCHEMBL19828106 0.83 ALDH1A1 (0.40) MEN1KMT2AALDH1A1CYP3A4TSHR
SCHEMBL142324 0.83 ALDH1A1 (0.40) MEN1KMT2AALDH1A1CYP3A4TSHR
SCHEMBL15856896 0.83 ALDH1A1 (0.40) MEN1KMT2AALDH1A1CYP3A4TSHR
SCHEMBL15195722 0.83 ALDH1A1 (0.40) MEN1KMT2AALDH1A1CYP3A4TSHR
SCHEMBL12417582 0.82 LMNA (0.33) MEN1KMT2AALDH1A1CYP3A4TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021005914-A1 CURED OBJECT, OVERCOAT FILM, AND FLEXIBLE WIRING BOARD 日本ポリテック株式会社 2021-01-14 WO disclosed
WO-2012014898-A1 LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学工業株式会社 (JP) 2012-02-02 WO disclosed
WO-2011132752-A1 LIQUID-CRYSTAL ALIGNMENT AGENT, LIQUID-CRYSTAL ALIGNMENT FILM, AND LIQUID-CRYSTAL DISPLAY ELEMENT 日産化学工業株式会社 (JP) 2011-10-27 WO disclosed