SCHEMBL28792134

SCHEMBL28792134

CCCCCCCCCCCCSC(=S)SC(C)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.42
GMNN O75496 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
CYP2C9 P11712 1/20 0.42
BLM P54132 1/20 0.42
GPR84 Q9NQS5 11/20 0.41
EPHX1 P07099 1/20 0.39
PPARG P37231 7/20 0.36
PPARD Q03181 7/20 0.36
PPARA Q07869 7/20 0.36
HDAC11 Q96DB2 5/20 0.36
TSHR P16473 4/20 0.36
PTPN1 P18031 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TLR2 O60603 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
FABP4 P15090 2/20 0.36

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
SCHEMBL28107250 0.85 GPR84 (0.42) HSD17B10GMNNTP53POLBMAPT
SCHEMBL3065227 0.83 HSD17B10 (0.41) HSD17B10GMNNTP53POLBMAPT
SCHEMBL181033 0.81 EPHX1 (0.45) HSD17B10GMNNTP53POLBMAPT
SCHEMBL31539134 0.81 EPHX1 (0.45) HSD17B10GMNNTP53POLBMAPT
SCHEMBL15392590 0.79 GPR84 (0.48) HSD17B10MAPTGPR84PPARGPPARD
SCHEMBL19450501 0.78 EPHX1 (0.39) HSD17B10GMNNTP53POLBMAPT
SCHEMBL15689676 0.76 EPHX1 (0.33) HSD17B10GMNNTP53POLBMAPT
SCHEMBL11268390 0.76 EPHX1 (0.55) HSD17B10GMNNTP53POLBMAPT
SCHEMBL9106812 0.76 EPHX1 (0.55) HSD17B10GMNNTP53POLBMAPT
SCHEMBL3077932 0.76 GPR84 (0.35) HSD17B10GMNNTP53POLBMAPT

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-114671986-A Fluorescent polyacrylate targeting lysosome and lipid droplet subcellular organelle and application thereof in cell imaging 齐鲁工业大学 2022-06-28 CN claimed
CN-114671986-A Fluorescent polyacrylate targeting lysosome and lipid droplet subcellular organelle and application thereof in cell imaging 齐鲁工业大学 2022-06-28 CN disclosed