SCHEMBL28624982

SCHEMBL28624982

CCCCCCCCCCCOC(=O)c1c[nH]c(=O)cc1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.58
ALDH1A1 P00352 6/20 0.58
LMNA P02545 3/20 0.58
MAPK1 P28482 3/20 0.56
CYP3A4 P08684 2/20 0.56
TP53 P04637 1/20 0.56
KDM4E B2RXH2 4/20 0.54
POLB P06746 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CNR2 P34972 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
FAAH O00519 1/20 0.50
MMP1 P03956 1/20 0.48
MMP9 P14780 1/20 0.48
MMP12 P39900 1/20 0.48
SCN1A P35498 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN3A Q9NY46 1/20 0.47
GPR84 Q9NQS5 1/20 0.47

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
SCHEMBL4527107 0.85 ALDH1A1 (0.64) TSHRALDH1A1LMNAMAPK1CYP3A4
SCHEMBL5089650 0.84 JAK2 (0.52) TSHRALDH1A1KDM4EHSD17B10MAPT
SCHEMBL5975125 0.80 ALDH1A1 (0.74) TSHRALDH1A1LMNAMAPK1CYP3A4
SCHEMBL5975366 0.80 ALDH1A1 (0.74) TSHRALDH1A1LMNAMAPK1CYP3A4
SCHEMBL5893357 0.79 TSHR (0.73) TSHRALDH1A1LMNAMAPK1CYP3A4
Biphenyl SCHEMBL27403396 0.79 ALDH1A1 (0.87) TSHRALDH1A1LMNAMAPK1CYP3A4
SCHEMBL9587934 0.78 ALDH1A1 (0.61) TSHRALDH1A1LMNAMAPK1CYP3A4
SCHEMBL6399746 0.78 ALDH1A1 (0.65) TSHRALDH1A1LMNAMAPK1CYP3A4
SCHEMBL21056612 0.77 NR4A2 (0.56) ALDH1A1MAPT
Biphenyl SCHEMBL28278261 0.77 ALDH1A1 (0.84) TSHRALDH1A1LMNAMAPK1CYP3A4

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-113395965-A USP19 inhibitors for treatment 阿尔麦克探索有限公司 2021-09-14 CN claimed
CN-113395965-A USP19 inhibitors for treatment 阿尔麦克探索有限公司 2021-09-14 CN disclosed