SCHEMBL20006565

SCHEMBL20006565

CNc1ccc(CCOC(C)=O)c(N)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TKT P29401 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CFTR P13569 2/20 0.34
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PRKCI P41743 1/20 0.33
RAD52 P43351 1/20 0.33
PKM P14618 1/20 0.33
SLC18A1 P54219 1/20 0.33
SLC18A2 Q05940 1/20 0.33
TSHR P16473 2/20 0.33
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA2 P00918 1/20 0.31

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
SCHEMBL16389889 0.81 TKT (0.41) TKTALDH1A1RAD52TSHRKDM4E
SCHEMBL28429508 0.75 TDP1 (0.55) TDP1CFTRALDH1A1SMN1; SMN2KDM4E
SCHEMBL27934750 0.74 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2RAD52TSHRMAPT
SCHEMBL6975034 0.74 ALDH1A1 (0.45) TKTTDP1CFTRALDH1A1SMN1; SMN2
SCHEMBL22897717 0.74 CFTR (0.42) TDP1CFTRALDH1A1SLC18A1SLC18A2
SCHEMBL16390262 0.73 TNKS2 (0.40) TKTALDH1A1RAD52PKMTSHR
SCHEMBL22561319 0.71 PKM (0.44) ALDH1A1SMN1; SMN2PKMKDM4EMAPT
SCHEMBL20202299 0.70 THRB (0.40) TDP1ALDH1A1SMN1; SMN2TSHRGAA
SCHEMBL27487321 0.70 USP2 (0.41) TDP1ALDH1A1SMN1; SMN2TSHRGAA
SCHEMBL27728433 0.70 CHRM2 (0.44) TKTALDH1A1TSHRKDM4EGAA

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
EP-3128369-B1 PHOTOSENSITIVE RESIN COMPOSITION, LITHOGRAPHIC PRINTING ORIGINAL PLATE AND METHOD FOR PRODUCING LITHOGRAPHIC PRINTING PLATE FUJIFILM CORP (JP) 2018-03-28 EP disclosed