SCHEMBL7143775

SCHEMBL7143775

C=CC(=O)OCC(C)CCCCCCO

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.55
ALDH1A1 P00352 5/20 0.44
CYP3A4 P08684 3/20 0.44
TP53 P04637 3/20 0.41
HIF1A Q16665 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.36
MAPT P10636 2/20 0.34
USP2 O75604 1/20 0.34
THRB P10828 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
FAAH O00519 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30

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
SCHEMBL19845032 0.98 TSHR (0.56) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL4667860 0.94 TSHR (0.56) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL27646428 0.88 TSHR (0.61) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL6685537 0.87 TSHR (0.55) TSHRALDH1A1CYP3A4TP53HIF1A
1,5-Pentanediol SCHEMBL6688362 0.87 TSHR (0.55) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL25381657 0.87 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDMAPT
SCHEMBL6451963 0.87 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDMAPT
SCHEMBL652832 0.87 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDMAPT
SCHEMBL3764922 0.87 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDMAPT
SCHEMBL651685 0.87 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDMAPT

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-116917422-A Active energy ray-curable offset printing ink composition 阪田油墨株式会社 2023-10-20 CN disclosed
CN-116529073-A Active energy ray-curable offset printing ink composition 阪田油墨株式会社 2023-08-01 CN disclosed
EP-1295899-A2 Active energy beam-curable composition, ink containing the same, and printer accommodating the same ink BROTHER KOGYO KABUSHIKI KAISHA (JP) 2003-03-26 EP disclosed