SCHEMBL7952932

SCHEMBL7952932

C=C(C)C(=O)OCCCCCCCCCCCCCCCCOC(=O)c1ccc(C(=O)O)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.56
HTT P42858 2/20 0.56
POLB P06746 1/20 0.56
APEX1 P27695 1/20 0.56
TSHR P16473 4/20 0.50
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
THRB P10828 1/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 3/20 0.37
DAO P14920 1/20 0.37
CYP3A4 P08684 2/20 0.36
MAPT P10636 2/20 0.36
PKM P14618 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36

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
SCHEMBL7951136 1.00 TDP1 (0.56) TDP1HTTPOLBAPEX1TSHR
SCHEMBL7951177 1.00 TDP1 (0.56) TDP1HTTPOLBAPEX1TSHR
SCHEMBL7947700 1.00 TDP1 (0.56) TDP1HTTPOLBAPEX1TSHR
SCHEMBL7947742 1.00 TDP1 (0.56) TDP1HTTPOLBAPEX1TSHR
SCHEMBL7951144 1.00 TDP1 (0.56) TDP1HTTPOLBAPEX1TSHR
SCHEMBL7941350 0.99 TDP1 (0.53) TDP1HTTPOLBAPEX1TSHR
SCHEMBL7953022 0.94 TSHR (0.56) TDP1HTTPOLBAPEX1TSHR
SCHEMBL7948669 0.94 TSHR (0.56) TDP1HTTPOLBAPEX1TSHR
SCHEMBL7947613 0.94 TSHR (0.56) TDP1HTTPOLBAPEX1TSHR
SCHEMBL7952936 0.94 TSHR (0.56) TDP1HTTPOLBAPEX1TSHR

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