SCHEMBL18914481

SCHEMBL18914481

CC1(C)CC2(CC(C)(C)c3cc(Oc4cccc(Oc5ccc(C=O)cc5)c4C#N)c(Oc4cccc(Oc5ccc(C=O)cc5)c4C#N)cc32)c2cc(Oc3cccc(Oc4ccc(C=O)cc4)c3C#N)c(Oc3cccc(Oc4ccc(C=O)cc4)c3C#N)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 4/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 2/20 0.33
CYP2A6 P11509 1/20 0.33
GAA P10253 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EZH2 Q15910 2/20 0.32
HSD11B1 P28845 1/20 0.32
ESRRA P11474 1/20 0.32
RXRA P19793 1/20 0.31
VEGFA P15692 1/20 0.30
TLR8 Q9NR97 2/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL18914695 0.92 RXRA (0.34) TTRMAPTALDH1A1LMNAPOLB
SCHEMBL18914694 0.92 MEN1 (0.32) TTRMAPTALDH1A1LMNAEZH2
SCHEMBL18914613 0.89 POLB (0.33) MAPTPOLBGAAEZH2HSD11B1
SCHEMBL18907159 0.86
SCHEMBL17430346 0.84 GAA (0.37) MAPTALDH1A1LMNAPOLBGAA
SCHEMBL18914696 0.83 RXRA (0.40) MAPTALDH1A1POLBGAAEZH2
SCHEMBL18914478 0.83 MEN1 (0.32)
SCHEMBL18183535 0.82 MEN1 (0.42) MAPTALDH1A1LMNAPOLBCYP2A6
SCHEMBL18914706 0.82 EZH2 (0.40) MAPTALDH1A1LMNAPOLBCYP1A2
SCHEMBL18914482 0.81 POLB (0.33) MAPTPOLBGAAEZH2RXRA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180114698-A2 COMPOSITION FOR FILM FORMATION, FILM, PRODUCTION METHOD OF PATTERNED SUBSTRATE, AND COMPOUND JSR CORPORATION (JP) 2018-04-26 US disclosed
US-20170154782-A1 COMPOSITION FOR FILM FORMATION, FILM, PRODUCTION METHOD OF PATTERNED SUBSTRATE, AND COMPOUND JSR CORPORATION (JP) 2017-06-01 US disclosed