SCHEMBL18906124

SCHEMBL18906124

C=C(C)C(=O)OCCOC(=O)c1ccc2c(O)c(O)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.59
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
SERPINE1 P05121 3/20 0.41
PTPN11 Q06124 1/20 0.41
ESR1 P03372 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYBB P04839 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B2 P37059 1/20 0.37

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
SCHEMBL18904523 0.90 LCK (0.59) LCKPOLBKDM4EHDAC6PTPN11
SCHEMBL18906152 0.85 LCK (0.40) LCKPOLBKDM4EHDAC6SERPINE1
SCHEMBL18906123 0.84 POLB (0.46) LCKPOLBKDM4EHDAC6SERPINE1
SCHEMBL838089 0.83 CA12 (0.59) POLBKDM4EHDAC6SERPINE1ESR1
SCHEMBL13577788 0.82 ESR1 (0.41) LCKPOLBKDM4EHDAC6SERPINE1
SCHEMBL10040394 0.82 TDP1 (0.46) POLBKDM4EHDAC6SERPINE1ESR1
SCHEMBL13567320 0.81 CA1 (0.40) LCKPOLBKDM4EHDAC6SERPINE1
SCHEMBL14001889 0.81 POLB (0.48) POLBKDM4EHDAC6ESR1CA1
SCHEMBL9880800 0.80 HRH3 (0.55) POLBKDM4EAPEX1HTTTDP1
SCHEMBL16243833 0.80 TDP1 (0.60) POLBKDM4EHDAC6CA1CA2

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