SCHEMBL28036638

SCHEMBL28036638

CCCCCC(CC)OC(=O)C=Cc1ccc(OC)cc1.[Au]

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.61
LMNA P02545 2/20 0.52
TAS1R3 Q7RTX0 5/20 0.52
TAS1R1 Q7RTX1 5/20 0.52
THRB P10828 1/20 0.50
ATM Q13315 1/20 0.50
GSK3B P49841 1/20 0.49
F3 P13726 2/20 0.48
MAOB P27338 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 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
SCHEMBL35994 0.99 TDP1 (0.62) TDP1LMNATAS1R3TAS1R1THRB
SCHEMBL14698300 0.99 TDP1 (0.62) TDP1LMNATAS1R3TAS1R1THRB
SCHEMBL35995 0.99 TDP1 (0.62) TDP1LMNATAS1R3TAS1R1THRB
SCHEMBL28200368 0.96 TDP1 (0.60) TDP1LMNATAS1R3TAS1R1THRB
4-Methoxycinnamic Acid SCHEMBL19717781 0.95 TDP1 (0.58) TDP1LMNATAS1R3TAS1R1THRB
SCHEMBL28313815 0.95 TDP1 (0.58) TDP1LMNATAS1R3TAS1R1THRB
4-Methoxycinnamic Acid SCHEMBL21195188 0.92 TDP1 (0.55) TDP1LMNATAS1R3TAS1R1THRB
Stearic Acid SCHEMBL15049027 0.91 TDP1 (0.54) TDP1LMNATAS1R3TAS1R1THRB
SCHEMBL7606022 0.91 TDP1 (0.60) TDP1LMNATAS1R3TAS1R1THRB
Phenol SCHEMBL8729267 0.91 TDP1 (0.54) TDP1LMNATAS1R3TAS1R1THRB

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-108096098-A Sunscreen composition and preparation method thereof 国东启 2018-06-01 CN disclosed
CN-105106101-A Whitening and anti-wrinkling sun cream and preparation method thereof WANG DAN 2015-12-02 CN disclosed