SCHEMBL4096763

SCHEMBL4096763

C=CC(=O)OCC(CC)(CC)CCCC

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.55
ALDH1A1 P00352 5/20 0.55
TP53 P04637 3/20 0.55
HIF1A Q16665 3/20 0.55
CYP3A4 P08684 2/20 0.55
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HPGD P15428 1/20 0.55
THRB P10828 4/20 0.54
HSD17B10 Q99714 1/20 0.37
ATM Q13315 1/20 0.36
THRA P10827 1/20 0.33
HCAR2 Q8TDS4 3/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33

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
SCHEMBL268415 0.97 TSHR (0.55) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL227181 0.92 ALDH1A1 (0.64) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27829221 0.87 THRB (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL21392010 0.86 TSHR (0.55) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL12264265 0.86 ALDH1A1 (0.58) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL10005425 0.85 THRB (0.44) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL18812856 0.85 THRB (0.51) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL238953 0.85 THRB (0.70) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28543752 0.85 THRB (0.70) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL14130577 0.85 ALDH1A1 (0.67) TSHRALDH1A1TP53HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117642879-A Laminate for nonaqueous secondary battery, method for producing laminate for nonaqueous secondary battery, and nonaqueous secondary battery 日本瑞翁株式会社 2024-03-01 CN disclosed
US-20090215913-A1 Highly porous polymeric materials comprising biologically active molecules via covalent grafting DSM IP ASSETS B.V. (NL) 2009-08-27 US disclosed
EP-1871878-A2 HIGHLY POROUS POLYMERIC MATERIALS COMPRISING BIOLOGICALLY ACTIVE MOLECULES VIA COVALENT GRAFTING DSMIP Assets B.V. (NL) 2008-01-02 EP disclosed
WO-2006111399-A2 HIGHLY POROUS POLYMERIC MATERIALS COMPRISING BIOLOGICALLY ACTIVE MOLECULES VIA COVALENT GRAFTING DSM IP ASSETS B.V. (NL) 2006-10-26 WO disclosed
US-6447900-B1 Pressure-sensitive adhesive TOYO INK MANUFACTURING CO., LTD. (JP) 2002-09-10 US disclosed
EP-0971010-A1 PRESSURE-SENSITIVE ADHESIVE Kao Corporation (JP) 2000-01-12 EP disclosed
EP-0096459-A2 Polymerisation process IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-12-21 EP disclosed