SCHEMBL28313408

SCHEMBL28313408

CCOC(=O)Cn1cnc2cncnc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.49
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MITF O75030 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.40
LTA4H P09960 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL28126755 0.81 FDPS (0.55) FDPSHDAC1HDAC6RAB9AALDH1A1
SCHEMBL1692456 0.79 FDPS (0.56) FDPSHDAC1HDAC6ALDH1A1MEN1
SCHEMBL14125938 0.78 FDPS (0.43) FDPSHDAC1HDAC6RAB9AALDH1A1
SCHEMBL6948592 0.78 FDPS (0.55) FDPSHDAC1HDAC6ALDH1A1MEN1
SCHEMBL15484962 0.78 LMNA (0.51) ALDH1A1MEN1HTTKMT2AHSD17B10
SCHEMBL27613512 0.76 LTA4H (0.50) FDPSHDAC1HDAC6ALDH1A1HSD17B10
SCHEMBL29941724 0.75 FDPS (0.54) FDPSHDAC1HDAC6ALDH1A1MEN1
SCHEMBL5062453 0.75 FDPS (0.54) FDPSHDAC1HDAC6ALDH1A1MEN1
SCHEMBL13769754 0.75 MITF (0.41) RAB9AALDH1A1MEN1MAPTHTT
SCHEMBL13769678 0.75 MITF (0.41) RAB9AALDH1A1MEN1MAPTHTT

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
CN-110156549-A The method that borohydride reduction stabilising system and esters are reduced to alcohols 凯莱英医药集团(天津)股份有限公司 2019-08-23 CN disclosed