SCHEMBL7948669

SCHEMBL7948669

C=C(C)C(=O)OCCCCCCCCCCOC(=O)c1ccc(C(=O)OCCCCCCCCCCOC(=O)C(=C)C)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.56
TDP1 Q9NUW8 3/20 0.54
POLB P06746 2/20 0.54
APEX1 P27695 1/20 0.54
HTT P42858 1/20 0.54
THRB P10828 1/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 2/20 0.41
CYP3A4 P08684 2/20 0.39
MAPT P10636 2/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
CYP2C19 P33261 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL7953022 1.00 TSHR (0.56) TSHRTDP1POLBAPEX1HTT
SCHEMBL7947613 1.00 TSHR (0.56) TSHRTDP1POLBAPEX1HTT
SCHEMBL7952936 1.00 TSHR (0.56) TSHRTDP1POLBAPEX1HTT
SCHEMBL7947662 1.00 TSHR (0.56) TSHRTDP1POLBAPEX1HTT
SCHEMBL7953067 0.98 TSHR (0.53) TSHRTDP1POLBAPEX1HTT
SCHEMBL7951177 0.94 TDP1 (0.56) TSHRTDP1POLBAPEX1HTT
SCHEMBL7951136 0.94 TDP1 (0.56) TSHRTDP1POLBAPEX1HTT
SCHEMBL7952932 0.94 TDP1 (0.56) TSHRTDP1POLBAPEX1HTT
SCHEMBL7951144 0.94 TDP1 (0.56) TSHRTDP1POLBAPEX1HTT
SCHEMBL7947742 0.94 TDP1 (0.56) TSHRTDP1POLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265508-B1 Metal surface treatment agent having thiophenecarboxylic acid ester-containing and phosphoric acid ester-containing polymerizable monomer groups GC CORPORATION (JP) 2001-07-24 US disclosed