SCHEMBL28533767

SCHEMBL28533767

CCOCCOC(=O)/C=C/c1ccc(OCC)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.56
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
MAPT P10636 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
HTT P42858 1/20 0.55
KMT2A Q03164 1/20 0.55
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
ABCG2 Q9UNQ0 1/20 0.53
LMNA P02545 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
APP P05067 1/20 0.52
TP53 P04637 1/20 0.51
SMN1; SMN2 Q16637 1/20 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
SCHEMBL28533768 1.00 MAOB (0.56) MAOBNPC1RAB9AMAPTKDM4E
Cinoxate SCHEMBL15558 0.89 LMNA (0.67) MAOBMAPTKMT2ACA12CA1
Cinoxate SCHEMBL6851231 0.89 LMNA (0.67) MAOBMAPTKMT2ACA12CA1
Cinoxate SCHEMBL1907002 0.89 LMNA (0.67) MAOBMAPTKMT2ACA12CA1
Cinoxate SCHEMBL318972 0.89 LMNA (0.67) MAOBMAPTKMT2ACA12CA1
SCHEMBL31419773 0.89 MAOB (0.57) MAOBNPC1RAB9AMAPTKDM4E
SCHEMBL19244431 0.88 APP (0.61) MAOBNPC1RAB9AMAPTKDM4E
SCHEMBL19244429 0.88 APP (0.61) MAOBNPC1RAB9AMAPTKDM4E
SCHEMBL20090820 0.87 NPC1 (0.53) MAOBNPC1RAB9AMAPTKDM4E
SCHEMBL6493466 0.87 CA12 (0.60) MAOBNPC1RAB9AMAPTKDM4E

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-108883049-B Superfatting agents and personal care compositions 萨博公司 2021-03-12 CN disclosed