SCHEMBL7943226

SCHEMBL7943226

C=C(C)C(=O)OCCO.C=CC(=O)OCCCCCC(C)C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.50
ALDH1A1 P00352 4/20 0.50
CYP3A4 P08684 2/20 0.50
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TP53 P04637 3/20 0.36
HIF1A Q16665 3/20 0.36
HSD17B10 Q99714 1/20 0.36
THRB P10828 2/20 0.36
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ESR1 P03372 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31

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
SCHEMBL11826225 1.00 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDTDP1
SCHEMBL31216393 0.95 TSHR (0.56) TSHRALDH1A1CYP3A4HPGDTDP1
SCHEMBL29004140 0.95 TSHR (0.56) TSHRALDH1A1CYP3A4HPGDTDP1
SCHEMBL11829645 0.90 TSHR (0.57) TSHRALDH1A1CYP3A4TDP1POLB
SCHEMBL28319879 0.90 TSHR (0.57) TSHRALDH1A1CYP3A4TDP1POLB
SCHEMBL7912783 0.90 TSHR (0.45) TSHRALDH1A1CYP3A4HPGDTDP1
SCHEMBL29580127 0.90 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDTDP1
SCHEMBL31589984 0.90 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTDP1
SCHEMBL29110637 0.90 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTDP1
SCHEMBL29581623 0.90 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0777697-B1 CURABLE SILICONE SEALANT/ADHESIVE COMPOSITIONS LOCTITE CORP (US) 2001-09-19 EP disclosed
EP-0987306-A2 Curable silicon sealant/adhesive compositions. LOCTITE CORPORATION (US) 2000-03-22 EP disclosed
EP-0777697-A4 CURABLE SILICONE SEALANT/ADHESIVE COMPOSITIONS LOCTITE CORP (US) 1998-08-19 EP disclosed
EP-0777697-A1 CURABLE SILICONE SEALANT/ADHESIVE COMPOSITIONS LOCTITE CORPORATION (US) 1997-06-11 EP disclosed
WO-1996039458-A1 CURABLE SILICONE SEALANT/ADHESIVE COMPOSITIONS LOCTITE CORPORATION (US) 1996-12-12 WO disclosed