SCHEMBL4776174

SCHEMBL4776174

C=CC(=O)OCCC(C)S(=O)(=O)C(C)CCOC(=O)C=C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.50
HPGD P15428 1/20 0.48
ALDH1A1 P00352 4/20 0.48
TP53 P04637 3/20 0.48
HIF1A Q16665 3/20 0.48
CYP3A4 P08684 2/20 0.48
HSD17B10 Q99714 1/20 0.48
THRB P10828 2/20 0.45
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CHRNB2 P17787 2/20 0.31
CHRNA4 P43681 2/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
ATM Q13315 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
SCHEMBL5052638 0.87 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL10702026 0.86 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL10702020 0.84 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL8736815 0.81 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL9103359 0.80 TSHR (0.57) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL34661 0.80 TSHR (0.63) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL29550542 0.80 TSHR (0.63) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL8660776 0.79 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL142522 0.79 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
Ethylene SCHEMBL28783854 0.79 TSHR (0.61) TSHRHPGDALDH1A1TP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1908788-A1 Novel biomimetic hydrogel materials The Regents of the University of California (US) 2008-04-09 EP claimed
EP-1017737-A4 NOVEL BIOMIMETIC HYDROGEL MATERIALS UNIV CALIFORNIA (US) 2002-06-26 EP claimed
EP-1017737-A1 NOVEL BIOMIMETIC HYDROGEL MATERIALS The Regents of the University of California (US) 2000-07-12 EP claimed
WO-1999011692-A1 NOVEL BIOMIMETIC HYDROGEL MATERIALS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-03-11 WO claimed