SCHEMBL29634210

SCHEMBL29634210

Cc1cccc2c1C(=O)c1c(C)cccc1-2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
USP8 P40818 1/20 0.50
DAO P14920 1/20 0.48
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MYC P01106 1/20 0.47
POLB P06746 1/20 0.47
NTRK1 P04629 1/20 0.46
ELANE P08246 2/20 0.46
CTSG P08311 1/20 0.46
DPP4 P27487 1/20 0.46
TSHR P16473 3/20 0.45
MAPK1 P28482 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP3A4 P08684 2/20 0.45
NPC1 O15118 1/20 0.45

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
SCHEMBL4161497 1.00 CA1 (0.52) CA1CA2CA7CA9USP8
SCHEMBL12258322 0.92 ALDH1A1 (0.54) CA1CA2CA7CA9USP8
SCHEMBL1688847 0.90 ALDH1A1 (0.55) CA1CA2CA7CA9USP8
SCHEMBL2993336 0.88 SMN1; SMN2 (0.59) CA1CA2CA7CA9USP8
SCHEMBL29908547 0.88 SMN1; SMN2 (0.55) CA1CA2CA7CA9ALDH1A1
SCHEMBL3976848 0.88 SMN1; SMN2 (0.55) CA1CA2CA7CA9ALDH1A1
SCHEMBL14023417 0.86 CA1 (0.46) CA1CA2CA7CA9USP8
SCHEMBL3979103 0.85 ELANE (0.49) CA1CA2CA7CA9USP8
SCHEMBL11404062 0.84 ALDH1A1 (0.47) CA1CA2CA7CA9USP8
SCHEMBL6036681 0.84 TDP2 (0.52) CA1CA2CA7CA9USP8

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-111290216-B Hard mask composition, hard mask and method for forming pattern 厦门恒坤新材料科技股份有限公司 2022-05-20 CN disclosed