SCHEMBL18906152

SCHEMBL18906152

C=C(C)C(=O)OCCOC(=O)c1ccc2c(O)cccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.40
POLB P06746 2/20 0.40
SERPINE1 P05121 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
TYR P14679 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CDC25B P30305 1/20 0.38
DRD3 P35462 1/20 0.38
ESR1 P03372 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ATM Q13315 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 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
SCHEMBL18904534 0.90 LCK (0.40) LCKPOLBTDP1APEX1HTT
SCHEMBL18906124 0.85 LCK (0.59) LCKPOLBSERPINE1TDP1APEX1
SCHEMBL9880800 0.83 HRH3 (0.55) POLBTDP1APEX1HTTHRH3
SCHEMBL13609723 0.82 HRH3 (0.51) POLBTDP1APEX1HTTHRH3
SCHEMBL18906123 0.82 POLB (0.46) LCKPOLBSERPINE1TDP1APEX1
SCHEMBL4812806 0.81 THRB (0.47) POLBSERPINE1TDP1APEX1HTT
SCHEMBL13577788 0.80 ESR1 (0.41) LCKPOLBSERPINE1TDP1APEX1
SCHEMBL838089 0.80 CA12 (0.59) POLBSERPINE1TDP1APEX1HTT
SCHEMBL19360464 0.80 HRH3 (0.52) POLBSERPINE1TDP1APEX1HTT
SCHEMBL19360462 0.80 HRH3 (0.52) POLBSERPINE1TDP1APEX1HTT

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