SCHEMBL28274308

SCHEMBL28274308

C=C(C)C(=O)Oc1ccccc1.CC=C(C(=O)OC1CCCC1)C1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.45
KMT2A Q03164 3/20 0.37
POLB P06746 2/20 0.37
ATM Q13315 1/20 0.37
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 2/20 0.34
FABP7 O15540 1/20 0.34
FABP5 Q01469 1/20 0.34
BCHE P06276 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
EPHX2 P34913 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL9186604 0.86 ELANE (0.52) ELANEKMT2APOLBATMRAB9A
SCHEMBL27615147 0.82 RAB9A (0.49) ELANEKMT2APOLBRAB9AALDH1A1
SCHEMBL28107692 0.79 ELANE (0.42) ELANEPOLBRAB9AALDH1A1TDP1
SCHEMBL28155810 0.78 ELANE (0.49) ELANEKMT2APOLBATMRAB9A
SCHEMBL21931861 0.77 EPHX1 (0.39) SMN1; SMN2HTT
SCHEMBL5463375 0.77 EPHX1 (0.39) SMN1; SMN2HTT
SCHEMBL2996958 0.76 EPHX1 (0.42) SMN1; SMN2HTT
SCHEMBL29152273 0.76 EPHX1 (0.42) SMN1; SMN2HTT
SCHEMBL28084732 0.75 ELANE (0.49) ELANEKMT2APOLBATMRAB9A
Acrylic Acid SCHEMBL28288423 0.75 EPHX1 (0.33) SMN1; SMN2HTT

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-109312047-A Carbamate (methyl) acrylate and laminate film DIC株式会社 2019-02-05 CN disclosed