SCHEMBL27970730

SCHEMBL27970730

CC(=O)c1cc(C(C)=O)c(Cl)c(C(C)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.48
MAPT P10636 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 3/20 0.43
HPGD P15428 3/20 0.41
LMNA P02545 2/20 0.40
AKR1C3 P42330 5/20 0.39
AKR1C2 P52895 5/20 0.39
PTGS2 P35354 1/20 0.36
KMT2A Q03164 2/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
NLRP1 Q9C000 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
GSK3B P49841 1/20 0.34

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
SCHEMBL13932440 0.77 CA5A (0.56) CA5AMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL1667196 0.77 CA5A (0.50) CA5AMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL7779178 0.77 CA5A (0.50) CA5AMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL28572602 0.77 CA5A (0.50) CA5AMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL28382276 0.75 CA5A (0.48) CA5AMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL2786636 0.75 CYP3A4 (0.50) CA5AHPGDLMNAL3MBTL1
SCHEMBL6513031 0.75 CA5A (0.48) CA5AMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL3791575 0.75 HDAC8 (0.48) MAPTRAB9ASMN1; SMN2NPC1HPGD
SCHEMBL669554 0.74 CA5A (0.67) CA5AMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL111207 0.74 TPMT (0.59) CA5AMAPTRAB9ASMN1; SMN2NPC1

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
CN-103897088-A Electrical particles, additives and filtration membranes IND TECH RES INST 2014-07-02 CN claimed
CN-103897088-B Electrical particles, additives and filtration membranes 财团法人工业技术研究院 2016-08-31 CN disclosed
CN-103897088-A Electrical particles, additives and filtration membranes IND TECH RES INST 2014-07-02 CN disclosed