SCHEMBL18906408

SCHEMBL18906408

C=C(C)C(=O)OCCOC(=O)c1c2ccccc2c(O)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.42
TSHR P16473 5/20 0.41
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 2/20 0.36
CA12 O43570 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 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
SCHEMBL14701232 0.88 ALDH1A1 (0.38) TSHRCA1CA2POLBHTT
SCHEMBL13609719 0.84 L3MBTL1 (0.46) THRBCA1CA2POLBAPEX1
SCHEMBL13609812 0.83 MEN1 (0.43) THRBPOLBAPEX1HTTTDP1
SCHEMBL10035133 0.78 TSHR (0.48) TSHRPOLBAPEX1HTTTDP1
SCHEMBL129437 0.78 TSHR (0.62) THRBTSHRCA1CA2POLB
SCHEMBL10064079 0.77 KDM4E (0.45) THRBTSHRCA1CA2POLB
SCHEMBL18904514 0.77 MAPT (0.40) THRBTSHRPOLBAPEX1HTT
SCHEMBL18906154 0.77 KDM4E (0.40) THRBTSHRCA1CA2POLB
SCHEMBL19316665 0.77 TSHR (0.45) TSHRALDH1A1KDM4ELMNA
SCHEMBL14701229 0.77 POLB (0.39) TSHRPOLBAPEX1HTTTDP1

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-20170153547-A1 COATING COMPOSITIONS FOR USE WITH AN OVERCOATED PHOTORESIST DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2017-06-01 US disclosed