SCHEMBL28865231

SCHEMBL28865231

O=C1CCCN1OC(=O)n1cccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
TSHR P16473 2/20 0.33
CASP1 P29466 1/20 0.32
BRD4 O60885 1/20 0.31
BRD2 P25440 1/20 0.31

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
SCHEMBL28106490 0.98 LMNA (0.33) LMNAALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL28194569 0.78 LMNA (0.33) LMNAALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL7206798 0.77 LMNA (0.50) LMNAALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL28078795 0.75 LMNA (0.42) LMNAALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL353225 0.75 LMNA (0.42) LMNAALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL11037068 0.74 LMNA (0.41) LMNAALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL24783971 0.72 LMNA (0.39) LMNAALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL891233 0.72 LMNA (0.39) LMNAALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL1291207 0.72 BRD4 (0.41) LMNAALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL22749300 0.72 LMNA (0.39) LMNAALDH1A1CYP1A2CYP2D6CYP2C9

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-108601797-A Skin care compositions and methods 麦莱琉卡有限公司 2018-09-28 CN disclosed