SCHEMBL28969124

SCHEMBL28969124

CCCCCCCCCCCCCCCCCCOC(=O)CCc1ccc(O)c(CCCC)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.55
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C8 P10632 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2B6 P20813 1/20 0.49
CYP2C19 P33261 1/20 0.49
IAPP P10997 1/20 0.47
CNR2 P34972 1/20 0.47
DGKA P23743 1/20 0.46
KAT8 Q9H7Z6 2/20 0.46
HTR1A P08908 2/20 0.45
HSD17B10 Q99714 1/20 0.44
TRPV1 Q8NER1 1/20 0.44

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
SCHEMBL20852487 0.97 APP (0.57) APPCYP1A2CYP3A4CYP2C8CYP2C9
SCHEMBL9758382 0.91 APP (0.56) APPCYP1A2CYP3A4CYP2C8CYP2C9
SCHEMBL14818348 0.88 CYP4F2 (0.54) APPCYP1A2CYP3A4CYP2C8CYP2C9
SCHEMBL19359020 0.88 APP (0.71) APPCYP1A2CYP3A4CYP2C8CYP2C9
SCHEMBL8137604 0.86 YWHAG (0.52) CNR2KAT8
SCHEMBL14244988 0.85 DGKA (0.50) CNR2DGKA
SCHEMBL14244745 0.85 DGKA (0.50) CNR2DGKA
SCHEMBL14245258 0.85 DGKA (0.50) CNR2DGKA
SCHEMBL1066945 0.85 DGKA (0.50) CNR2DGKA
SCHEMBL10578430 0.84 DGKA (0.49) CYP3A4CNR2DGKA

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-111139117-B Lubricant composition containing an anti-flaking agent 协同油脂株式会社 2023-03-24 CN disclosed
CN-115820037-A Ink composition and electronic device including film formed using ink composition 三星显示有限公司 2023-03-21 CN disclosed