SCHEMBL7205677

SCHEMBL7205677

C=C(C)C(=O)OCCO.OC=Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.41
POLB P06746 2/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
GLA P06280 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
AKR1B10 O60218 1/20 0.38
AKR1B1 P15121 1/20 0.38
THRB P10828 1/20 0.38
LMNA P02545 3/20 0.37
RAB9A P51151 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 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
Cinnamic Acid SCHEMBL28185054 0.87 HDAC3 (0.53) TDP1POLBAPEX1HTTGLA
Styrene SCHEMBL9305623 0.85 TDP1 (0.43) TDP1POLBAPEX1HTTGLA
Styrene SCHEMBL409075 0.85 TDP1 (0.43) TDP1POLBAPEX1HTTGLA
SCHEMBL5843377 0.85 TDP1 (0.44) TDP1POLBAPEX1HTTGLA
SCHEMBL4968472 0.84 PPARG (0.39) TDP1POLBAPEX1HTTGLA
SCHEMBL9305618 0.84 PAM (0.45) TDP1POLBAPEX1HTTGLA
SCHEMBL8171290 0.84 POLB (0.40) TDP1POLBAPEX1HTTGLA
Styrene SCHEMBL11239895 0.83 TDP1 (0.41) TDP1POLBAPEX1HTTGLA
Styrene SCHEMBL28447649 0.83 TDP1 (0.41) TDP1POLBAPEX1HTTGLA
SCHEMBL1506674 0.83 TDP1 (0.37) TDP1POLBAPEX1HTTGLA

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-6610282-B1 Biologically active compounds that slowly release the biologically active compound. These compositions may be directly incorporated into the locus to be protected or may be applied to a structure in a coating. ROHM AND HAAS COMPANY 2003-08-26 US claimed