SCHEMBL19612404

SCHEMBL19612404

CCCCOc1ccc2c(OCCCC)c(C)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
THRA P10827 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
AHR P35869 1/20 0.39

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
SCHEMBL19612198 0.95 THRA (0.45) CA12CA1CA2CA3CA4
SCHEMBL19612384 0.83 NQO1 (0.43) CA12CA1CA4CA6CA7
SCHEMBL16519478 0.83 CA12 (0.51) CA12CA1CA2CA3CA4
SCHEMBL19612466 0.83 KDM4E (0.44) CA12CA1CA2CA3CA4
SCHEMBL862392 0.82 ALDH1A1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL19612326 0.81 CNR2 (0.46) CA12CA1CA2CA3CA4
SCHEMBL19612219 0.81 RAB9A (0.53) KDM4EMAPK1TDP1
SCHEMBL19809314 0.80 CA12 (0.59) CA12CA1CA2CA3CA4
SCHEMBL29779708 0.80 CA12 (0.59) CA12CA1CA2CA3CA4
SCHEMBL19612274 0.80 TDP1 (0.37) CA12CA1CA2CA3CA4

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