SCHEMBL30259900

SCHEMBL30259900

CCC(=O)NCc1cccc(-c2ccccc2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.72
SRC P12931 2/20 0.56
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
HDAC1 Q13547 1/20 0.55
ERAP2 Q6P179 1/20 0.54
ERAP1 Q9NZ08 1/20 0.54
LNPEP Q9UIQ6 1/20 0.54
PADI1 Q9ULC6 2/20 0.53
PADI3 Q9ULW8 2/20 0.53
PADI4 Q9UM07 1/20 0.53
PADI2 Q9Y2J8 1/20 0.53
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
LIPG Q9Y5X9 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
BCL2 P10415 1/20 0.50
CFD P00746 1/20 0.50
FFAR1 O14842 1/20 0.49

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
SCHEMBL933473 0.88 PRMT6 (0.61) AOC3ALDH1A1
SCHEMBL27557605 0.86 AOC3 (0.58) AOC3SRCALDH1A1HDAC1ERAP2
SCHEMBL13652538 0.85 LMNA (0.70) SRCALDH1A1LMNAHDAC1MEN1
SCHEMBL4164885 0.84 MTNR1A (0.74) AOC3ALDH1A1MTNR1AMTNR1BMEN1
SCHEMBL9080 0.84 GAA (0.66) ALDH1A1LMNAMEN1KMT2A
SCHEMBL6418674 0.83 AOC3 (0.67) AOC3SRCALDH1A1LMNAHDAC1
SCHEMBL3649074 0.83 ALDH1A1 (0.53) AOC3ALDH1A1ERAP2ERAP1LNPEP
SCHEMBL934604 0.83 EPHX2 (0.63) AOC3LMNAKMT2A
SCHEMBL31061520 0.83 AOC3 (0.75) AOC3SRCALDH1A1LMNAERAP2
SCHEMBL13040220 0.81 MTNR1A (0.53) AOC3ALDH1A1MTNR1AMTNR1B

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-109400573-B Benzo [ d ] [1,3] dioxole compound, preparation method and application thereof 中国人民解放军第二军医大学 2023-04-11 CN disclosed