SCHEMBL19612466

SCHEMBL19612466

CCCCOc1ccc2c(OCCCC)c(Cl)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
KCNH2 Q12809 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
THRA P10827 1/20 0.39
GPBAR1 Q8TDU6 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
SCHEMBL19612214 0.96 THRA (0.44) KDM4ECA12CA1CA2CA3
SCHEMBL19612482 0.84 KMT2A (0.42) KDM4ECA12CA1CA4CA6
SCHEMBL19612404 0.83 CA12 (0.44) KDM4ECA12CA1CA2CA3
SCHEMBL16519478 0.81 CA12 (0.51) KDM4ECA12CA1CA2CA3
SCHEMBL19612328 0.80 ALDH1A1 (0.40) KDM4ECA2KCNH2L3MBTL1KMT2A
SCHEMBL19612326 0.80 CNR2 (0.46) CA12CA1CA2CA3CA4
SCHEMBL19612414 0.80 MAOA (0.46) KMT2ANPC1RAB9APDE2A
SCHEMBL19809314 0.79 CA12 (0.59) KDM4ECA12CA1CA2CA3
SCHEMBL29779708 0.79 CA12 (0.59) KDM4ECA12CA1CA2CA3
SCHEMBL19612198 0.79 THRA (0.45) KDM4ECA12CA1CA2CA3

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-20170336728-A1 ULTRAVIOLET CURABLE LIQUID COMPOSITION, ULTRAVIOLET CURING INKJET INK, ULTRAVIOLET CURING WET ELECTROPHOTOGRAPHIC LIQUID DEVELOPER, ULTRAVIOLET CURING ELECTROSTATIC INKJET INK, AND IMAGE FORMING METHOD USING THEREOF CANON KABUSHIKI KAISHA (JP) 2017-11-23 US disclosed