SCHEMBL28947729

SCHEMBL28947729

CCCCCCCCCCCCCCCCCCOC(=O)C(C)=CC(C)N(C)C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
NAAA Q02083 1/20 0.42
HCAR2 Q8TDS4 2/20 0.41
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FAAH O00519 3/20 0.40
EPHX1 P07099 1/20 0.40
SPHK1 Q9NYA1 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CES2 O00748 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL28027537 0.87 HCAR2 (0.34) TSHRHCAR2FAAHALDH1A1
SCHEMBL27615445 0.84 TSHR (0.56) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL28421749 0.83 TSHR (0.54) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL17222436 0.83 TSHR (0.54) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL6811026 0.81 TSHR (0.53) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL28215007 0.81 TSHR (0.53) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL1063229 0.80 GLO1 (0.41) TSHRNPSR1ALDH1A1LMNA
SCHEMBL29256090 0.80 TSHR (0.51) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL28124145 0.80 TSHR (0.51) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL11562931 0.80 TSHR (0.51) TSHRNAAAHCAR2RAD52NPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115671375-A Emulsion-enhanced viscosity-increasing drug-loaded hydrogel dressing and preparation method thereof 中国人民解放军空军军医大学 2023-02-03 CN claimed
CN-115671375-A Emulsion-enhanced viscosity-increasing drug-loaded hydrogel dressing and preparation method thereof 中国人民解放军空军军医大学 2023-02-03 CN disclosed
CN-115671375-A Emulsion-enhanced viscosity-increasing drug-loaded hydrogel dressing and preparation method thereof 中国人民解放军空军军医大学 2023-02-03 CN disclosed