SCHEMBL7770358

SCHEMBL7770358

C=C(C)C(=O)OCCOC(=O)c1ccc(N=C=S)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
POLB P06746 1/20 0.45
APEX1 P27695 1/20 0.45
HTT P42858 1/20 0.45
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
THRB P10828 1/20 0.40
TSHR P16473 4/20 0.39
LMNA P02545 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
ESR1 P03372 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.39
NR1H2 P55055 1/20 0.39
RNASEL Q05823 1/20 0.39
P2RY6 Q15077 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 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
SCHEMBL7768833 0.85 P2RY6 (0.51) TDP1POLBAPEX1HTTCA1
SCHEMBL1696749 0.84 TDP1 (0.54) TDP1POLBAPEX1HTTCA1
SCHEMBL9420485 0.83 SERPINE1 (0.47) TDP1CA1CA2TSHRLMNA
SCHEMBL2863947 0.80 ESR1 (0.62) TSHRLMNACYP1A2CYP2C19ESR1
SCHEMBL21422382 0.80 TDP1 (0.55) TDP1POLBAPEX1HTTCA1
SCHEMBL26970019 0.80 TDP1 (0.43) TDP1POLBAPEX1HTTCA1
SCHEMBL16351937 0.79 TDP1 (0.50) TDP1POLBAPEX1HTTCA1
SCHEMBL16351931 0.79 TDP1 (0.50) TDP1POLBAPEX1HTTCA1
SCHEMBL7765371 0.79 P2RY6 (0.46) TDP1POLBAPEX1HTTCA1
SCHEMBL21422396 0.79 POLB (0.54) TDP1POLBAPEX1HTTTHRB

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
WO-2001059455-A2 IMMOBILIZATION OF BIOACTIVE SPECIES ACSPURT B.V. (NL) 2001-08-16 WO disclosed