SCHEMBL29264644

SCHEMBL29264644

Cc1cc(N(C)C)ccc1C=C1CCc2ccccc2C1=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.71
ACHE P22303 1/20 0.71
MAPT P10636 9/20 0.57
SMN1; SMN2 Q16637 8/20 0.57
ALDH1A1 P00352 6/20 0.57
RAB9A P51151 5/20 0.57
NPC1 O15118 4/20 0.57
NFKB1 P19838 2/20 0.57
NFKB2 Q00653 2/20 0.57
RELA Q04206 2/20 0.57
TP53 P04637 1/20 0.57
MIF P14174 6/20 0.53
KMT2A Q03164 4/20 0.52
PKM P14618 3/20 0.52
STAT3 P40763 1/20 0.52
STAT1 P42224 1/20 0.52
CYP26A1 O43174 2/20 0.52
PLA2G1B P04054 1/20 0.52
ATG4B Q9Y4P1 1/20 0.52
MAOB P27338 2/20 0.51

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
SCHEMBL9168847 0.89 PTGS2 (0.69) PTGS2ACHEMAPTSMN1; SMN2ALDH1A1
SCHEMBL10477943 0.87 PTGS2 (0.55) PTGS2ACHEMAPTSMN1; SMN2ALDH1A1
SCHEMBL30298453 0.87 PTGS2 (0.55) PTGS2ACHEMAPTSMN1; SMN2ALDH1A1
SCHEMBL9508653 0.85 ACHE (0.58) PTGS2ACHEMAPTSMN1; SMN2ALDH1A1
SCHEMBL30832112 0.81 MAPT (0.83) MAPTSMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL8547082 0.80 MAOB (0.77) PTGS2ACHEMAPTSMN1; SMN2ALDH1A1
SCHEMBL29013399 0.80 MAOB (0.77) PTGS2ACHEMAPTSMN1; SMN2ALDH1A1
SCHEMBL8547081 0.80 MAOB (0.77) PTGS2ACHEMAPTSMN1; SMN2ALDH1A1
SCHEMBL29546505 0.80 MAOB (0.77) PTGS2ACHEMAPTSMN1; SMN2ALDH1A1
SCHEMBL10478018 0.80 MAPT (0.65) PTGS2ACHEMAPTSMN1; SMN2ALDH1A1

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-118019645-A Photosensitive composition 阿科玛法国公司 2024-05-10 CN disclosed