SCHEMBL28637583

SCHEMBL28637583

CC(C)OCOOC(=O)C=Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
LMNA P02545 3/20 0.48
AKR1B10 O60218 2/20 0.46
AKR1B1 P15121 2/20 0.46
TDP1 Q9NUW8 2/20 0.45
GLA P06280 1/20 0.45
KMT2A Q03164 4/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HDAC3 O15379 1/20 0.43
TNKS O95271 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 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
SCHEMBL28637581 0.85 LMNA (0.58) ALDH1A1LMNAAKR1B10AKR1B1TDP1
SCHEMBL1373609 0.82 LMNA (0.50) ALDH1A1LMNAAKR1B10AKR1B1TDP1
SCHEMBL1373613 0.82 LMNA (0.50) ALDH1A1LMNAAKR1B10AKR1B1TDP1
SCHEMBL6244901 0.80 LMNA (0.54) ALDH1A1LMNAAKR1B10AKR1B1TDP1
SCHEMBL6244908 0.80 LMNA (0.54) ALDH1A1LMNAAKR1B10AKR1B1TDP1
SCHEMBL5013117 0.77 ALDH1A1 (0.49) ALDH1A1LMNAAKR1B10AKR1B1TDP1
SCHEMBL5013109 0.77 ALDH1A1 (0.49) ALDH1A1LMNAAKR1B10AKR1B1TDP1
Ethylene SCHEMBL28572934 0.77 LMNA (0.51) ALDH1A1LMNAAKR1B10AKR1B1TDP1
SCHEMBL7199346 0.77 AKR1B10 (0.53) ALDH1A1LMNAAKR1B10AKR1B1TDP1
SCHEMBL7199354 0.77 AKR1B10 (0.53) ALDH1A1LMNAAKR1B10AKR1B1TDP1

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-113509396-A Powder cosmetic composition 莱雅公司 2021-10-19 CN disclosed