SCHEMBL28740107

SCHEMBL28740107

CCCCOP(=O)(OCCCC)OC(O)CC

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.59
TSHR P16473 1/20 0.47
LPAR3 Q9UBY5 3/20 0.42
LPAR1 Q92633 2/20 0.42
LPAR2 Q9HBW0 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 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
SCHEMBL5354926 0.96 CYP3A4 (0.59) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL25403066 0.83 CYP3A4 (0.47) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL28740007 0.82 CYP3A4 (0.61) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL11360941 0.81 LPAR3 (0.56) LPAR3LPAR1LPAR2
Isopropyl Alcohol SCHEMBL28141271 0.79 CYP3A4 (0.77) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL28651253 0.79 TSHR (0.52) CYP3A4TSHRL3MBTL1GAA
SCHEMBL29580 0.79 TSHR (0.48) CYP3A4TSHRL3MBTL1
SCHEMBL5908868 0.78 CYP3A4 (0.61) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL268615 0.78 CYP3A4 (0.67) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL29093890 0.77 CYP3A4 (0.65) CYP3A4TSHRLPAR3LPAR1LPAR2

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-113372747-B Intrinsic flame-retardant transparent organic silicon fireproof coating and preparation method thereof 北京化工大学 2022-04-26 CN disclosed
CN-113372747-A Intrinsic flame-retardant transparent organic silicon fireproof coating and preparation method thereof 北京化工大学 2021-09-10 CN disclosed