SCHEMBL7198587

SCHEMBL7198587

C=C(C)C(=O)OCCC(=O)O.C=CC(=O)OCCCCCCCC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.65
HPGD P15428 1/20 0.55
ALDH1A1 P00352 3/20 0.51
CYP3A4 P08684 1/20 0.51
HCAR2 Q8TDS4 3/20 0.47
TDP1 Q9NUW8 3/20 0.42
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
HTT P42858 1/20 0.42
EPHX2 P34913 2/20 0.40
THRB P10828 1/20 0.40
ATM Q13315 1/20 0.39
PPARG P37231 6/20 0.39
PPARD Q03181 6/20 0.39
PPARA Q07869 6/20 0.39
HDAC11 Q96DB2 5/20 0.39
GPR84 Q9NQS5 4/20 0.39
TLR2 O60603 2/20 0.39
FABP4 P15090 2/20 0.39
PTPN1 P18031 2/20 0.39

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
SCHEMBL9227122 1.00 TSHR (0.65) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL11119130 1.00 TSHR (0.65) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL12469797 0.92 TSHR (0.77) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL8425793 0.92 TSHR (0.77) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL9242062 0.92 TSHR (0.77) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL6887082 0.92 TSHR (0.77) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL9624268 0.92 TSHR (0.77) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL9517492 0.92 TSHR (0.77) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL9361594 0.92 TSHR (0.77) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL7198242 0.92 TSHR (0.77) TSHRHPGDALDH1A1CYP3A4HCAR2

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