SCHEMBL28859693

SCHEMBL28859693

CCCCCCCCOCCOC(CC)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
MEN1 O00255 1/20 0.48
THRB P10828 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 1/20 0.48
CES2 O00748 2/20 0.46
USP2 O75604 1/20 0.43
LPAR5 Q9H1C0 1/20 0.41
LPAR1 Q92633 2/20 0.40
LPAR3 Q9UBY5 2/20 0.40
PLA2G2C Q5R387 2/20 0.40
GPR84 Q9NQS5 3/20 0.39
CYP4F2 P78329 3/20 0.39
CYP4A11 Q02928 3/20 0.39
NAAA Q02083 1/20 0.39
FFAR1 O14842 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
SCHEMBL4782571 0.93 TSHR (0.42) HTTMEN1THRBKMT2AMAPT
SCHEMBL2784815 0.89 CYP4F2 (0.45) MAPTCES2GPR84CYP4F2CYP4A11
SCHEMBL20915413 0.89 CYP4F2 (0.45) MAPTCES2GPR84CYP4F2CYP4A11
SCHEMBL28420209 0.89 CYP4F2 (0.45) MAPTCES2GPR84CYP4F2CYP4A11
SCHEMBL20915230 0.89 CYP4F2 (0.45) MAPTCES2GPR84CYP4F2CYP4A11
SCHEMBL20915360 0.89 CYP4F2 (0.45) MAPTCES2GPR84CYP4F2CYP4A11
SCHEMBL20936625 0.89 CYP4F2 (0.45) MAPTCES2GPR84CYP4F2CYP4A11
SCHEMBL20936463 0.89 CYP4F2 (0.45) MAPTCES2GPR84CYP4F2CYP4A11
SCHEMBL11417015 0.89 CYP4F2 (0.45) MAPTCES2GPR84CYP4F2CYP4A11
SCHEMBL3751292 0.89 CYP4F2 (0.45) MAPTCES2GPR84CYP4F2CYP4A11

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-115175894-A Nano material 盖德治疗有限责任公司 2022-10-11 CN disclosed