Lawsone

Lawsone

SCHEMBL28076199

Nc1ccccc1C(=O)OCC(O)CO.O=C1C=C(O)C(=O)c2ccccc21

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.43
HSD17B10 Q99714 9/20 0.43
TSHR P16473 3/20 0.40
RAB9A P51151 4/20 0.40
HPGD P15428 4/20 0.40
CYP3A4 P08684 4/20 0.40
MAPK1 P28482 4/20 0.40
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
HIF1A Q16665 2/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 4/20 0.39
MEN1 O00255 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
KMT2A Q03164 1/20 0.39
RELA Q04206 1/20 0.39

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
SCHEMBL29875753 0.84 ALDH1A1 (0.58) ALDH1A1HSD17B10TSHRRAB9AHPGD
SCHEMBL15736 0.84 ALDH1A1 (0.58) ALDH1A1HSD17B10TSHRRAB9AHPGD
SCHEMBL120454 0.74 ALDH1A1 (0.61) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL17629572 0.72 ADRB2 (0.63) ALDH1A1HSD17B10TSHRRAB9AHPGD
SCHEMBL29613210 0.72 ADRB2 (0.63) ALDH1A1HSD17B10TSHRRAB9AHPGD
SCHEMBL17629569 0.72 ADRB2 (0.63) ALDH1A1HSD17B10TSHRRAB9AHPGD
SCHEMBL446204 0.72 ADRB2 (0.63) ALDH1A1HSD17B10TSHRRAB9AHPGD
Lawsone SCHEMBL9136705 0.69 MAPT (0.63) ALDH1A1RAB9AHPGDCYP3A4MAPK1
Lawsone SCHEMBL6849999 0.69 MAPT (0.68) ALDH1A1RAB9AHPGDCYP3A4MAPK1
Lawsone SCHEMBL16541 0.69 MAPT (0.68) ALDH1A1RAB9AHPGDCYP3A4MAPK1

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-105748341-A Cosmetic moisturizing composition and use method 玫琳凯有限公司 2016-07-13 CN disclosed