SCHEMBL28229682

SCHEMBL28229682

C=C(CCOc1ccccc1)C(=O)OC.CC=C(C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
RAB9A P51151 6/20 0.44
MAPT P10636 4/20 0.44
NPC1 O15118 4/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2D6 P10635 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HDAC3 O15379 3/20 0.43
HDAC4 P56524 3/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC7 Q8WUI4 3/20 0.43
HDAC2 Q92769 3/20 0.43

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
SCHEMBL28058450 0.89 RAB9A (0.53) MTNR1AMTNR1BRAB9AMAPTNPC1
Acrylic Acid SCHEMBL27995648 0.85 THRB (0.50) MTNR1AMTNR1BRAB9AMAPTNPC1
SCHEMBL28009381 0.82 HPGD (0.55) MTNR1AMTNR1BRAB9AMAPTNPC1
SCHEMBL28322907 0.80 RAB9A (0.45) MTNR1AMTNR1BRAB9AMAPTNPC1
Acrylic Acid SCHEMBL2464234 0.80 THRB (0.45) MTNR1AMTNR1BRAB9AMAPTNPC1
SCHEMBL28225095 0.80 POLB (0.48) MTNR1AMTNR1BRAB9AMAPTNPC1
Ethyl Acetate SCHEMBL28176321 0.79 THRB (0.45) MTNR1AMTNR1BRAB9AMAPTNPC1
SCHEMBL28302909 0.79 TSHR (0.48) MTNR1AMTNR1BRAB9AMAPTNPC1
SCHEMBL2406410 0.78 RAB9A (0.41) MTNR1AMTNR1BRAB9AMAPTNPC1
SCHEMBL7410091 0.77 MAPT (0.49) RAB9AMAPTNPC1KMT2AMEN1

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-108350285-A Conductive nano-particles dispersion primer composition and its preparation and application 沙特基础工业全球技术有限公司 2018-07-31 CN disclosed