SCHEMBL30728958

SCHEMBL30728958

CC1(C)OB(c2cccc3cccnc23)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.44
CCR1 P32246 3/20 0.44
CCR5 P51681 3/20 0.44
CCR8 P51685 3/20 0.44
MMP2 P08253 2/20 0.44
TSHR P16473 2/20 0.44
ALOX15 P16050 2/20 0.44
HTT P42858 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
GMNN O75496 1/20 0.44
TP53 P04637 1/20 0.44
HSP90AA1 P07900 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MMP9 P14780 1/20 0.44
NFKB1 P19838 1/20 0.44
MMP8 P22894 1/20 0.44
THPO P40225 1/20 0.44

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
SCHEMBL30774154 1.00 KDM4E (0.44) KDM4ELMNAMAPTCCR1CCR5
SCHEMBL1068456 1.00 KDM4E (0.44) KDM4ELMNAMAPTCCR1CCR5
SCHEMBL30094364 0.88 MAPT (0.43) KDM4ELMNAMAPTCCR1CCR5
SCHEMBL18748161 0.88 MAPT (0.43) KDM4ELMNAMAPTCCR1CCR5
SCHEMBL31577390 0.85 LMNA (0.44) KDM4ELMNAMAPTCCR1CCR5
SCHEMBL17413793 0.85 LMNA (0.44) KDM4ELMNAMAPTCCR1CCR5
SCHEMBL6033673 0.83 KDM4E (0.44) KDM4ELMNAMAPTCCR1CCR5
SCHEMBL28475623 0.82 CCR1 (0.38) KDM4ELMNAMAPTCCR1CCR5
SCHEMBL31262649 0.81 LMNA (0.43) KDM4ELMNAMAPTCCR1CCR5
SCHEMBL31651680 0.81 PSMD14 (0.50) KDM4ELMNAMAPTCCR1CCR5

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
CN-113957441-B Etching solution and preparation method and application thereof 光华科学技术研究院(广东)有限公司 2024-01-02 CN disclosed