SCHEMBL7196408

SCHEMBL7196408

C=C(CCOCCOCC)C(=O)O.C=CC(=O)OCCCCCCCCCCCCCCCCCC

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.53
HPGD P15428 1/20 0.53
ALDH1A1 P00352 3/20 0.49
CYP3A4 P08684 1/20 0.49
TP53 P04637 2/20 0.45
HIF1A Q16665 2/20 0.45
HSD17B10 Q99714 1/20 0.45
HCAR2 Q8TDS4 3/20 0.44
THRB P10828 3/20 0.40
ATM Q13315 1/20 0.37
NAAA Q02083 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.36
EPHX1 P07099 1/20 0.35
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL9105592 0.91 TSHR (0.54) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL30090599 0.89 TSHR (0.58) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL30559756 0.89 TSHR (0.58) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL30142925 0.89 TSHR (0.58) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL29508514 0.88 TSHR (0.55) TSHRHPGDALDH1A1CYP3A4TP53
Acrylic Acid Ethyl Ester SCHEMBL30573463 0.87 TSHR (0.54) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL10588715 0.86 TSHR (0.62) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL7753434 0.86 TSHR (0.62) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL10589479 0.86 TSHR (0.62) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL22607679 0.86 TSHR (0.62) TSHRHPGDALDH1A1CYP3A4TP53

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
EP-1355994-A2 RADIATION CURABLE COATING FOR THERMOPLASTIC SUBSTRATES Valspar Sourcing, Inc. (US) 2003-10-29 EP disclosed
WO-2002077109-A2 RADIATION CURABLE COATING FOR THERMOPLASTIC SUBSTRATES VALSPAR SOURCING, INC. (US) 2002-10-03 WO disclosed