SCHEMBL19612341

SCHEMBL19612341

CCOc1cccc2c(OCC)c(OC)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
CYP2A6 P11509 1/20 0.44
ALDH1A1 P00352 8/20 0.43
KDM4E B2RXH2 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 3/20 0.43
HPGD P15428 3/20 0.42
SYK P43405 1/20 0.41
GAA P10253 1/20 0.41
GSK3A P49840 1/20 0.40
CALM1 P0DP23 1/20 0.40
TSHR P16473 2/20 0.39
TUBB1 Q9H4B7 2/20 0.39
LMNA P02545 1/20 0.39
ALOX12 P18054 1/20 0.39
NTSR1 P30989 1/20 0.39
CCR6 P51684 1/20 0.39
MCL1 Q07820 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL15772901 0.85 SYK (0.47) SMN1; SMN2CYP2A6ALDH1A1KDM4EMAPT
SCHEMBL19612282 0.82 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1KMT2AMAPTMEN1
SCHEMBL2525316 0.81 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1KDM4EKMT2AMAPT
SCHEMBL9344381 0.81 IDO1 (0.55) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL30339830 0.81 IDO1 (0.55) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL2518861 0.81 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1KDM4EKMT2AMAPT
SCHEMBL3818341 0.81 ALDH1A1 (0.54) CYP2A6ALDH1A1KDM4EKMT2AMAPT
SCHEMBL30503999 0.81 ALDH1A1 (0.54) CYP2A6ALDH1A1KDM4EKMT2AMAPT
SCHEMBL19612348 0.81 LTA4H (0.46) CYP2A6ALDH1A1KDM4EKMT2AMAPT
SCHEMBL19612386 0.81 SYK (0.52) SMN1; SMN2ALDH1A1KDM4EKMT2AMAPT

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