SCHEMBL28523636

SCHEMBL28523636

C(=CCc1ccccc1)COCC1CO1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MGLL Q99685 2/20 0.41
GLA P06280 1/20 0.39
SIGMAR1 Q99720 3/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
DRD2 P14416 1/20 0.36

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
Allylbenzene SCHEMBL1358355 0.79 ALDH1A1 (0.50) TDP1ALDH1A1MEN1KMT2AMGLL
SCHEMBL1704962 0.79 SIGMAR1 (0.52) MAOBTDP1ALDH1A1MGLLGLA
SCHEMBL1704961 0.79 SIGMAR1 (0.52) MAOBTDP1ALDH1A1MGLLGLA
SCHEMBL5513084 0.78 MAOB (0.71) MAOBTP53TSHR
SCHEMBL1490578 0.78 ALDH1A1 (0.67) TDP1ALDH1A1MEN1KMT2AGLA
SCHEMBL5655527 0.78 ALDH1A1 (0.67) TDP1ALDH1A1MEN1KMT2AGLA
SCHEMBL19886228 0.78 ALDH1A1 (0.67) TDP1ALDH1A1MEN1KMT2AGLA
Diphenylmethane SCHEMBL2464629 0.75 MGLL (0.59) TDP1ALDH1A1MEN1KMT2AMGLL
SCHEMBL715660 0.75 LMNA (0.57) TDP1ALDH1A1MEN1KMT2AMGLL
SCHEMBL306297 0.75 LMNA (0.57) TDP1ALDH1A1MEN1KMT2AMGLL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112300742-B Epoxy resin waterproof bonding material, preparation method and application 南京阿斯孚特新材料科技有限公司 2023-04-28 CN disclosed
CN-112300742-A Epoxy resin waterproof bonding material, preparation method and application 南京阿斯孚特新材料科技有限公司 2021-02-02 CN disclosed