SCHEMBL9656017

SCHEMBL9656017

O=C(O)C1(C(=O)O)CCC2OC2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
MAPK1 P28482 2/20 0.39
TP53 P04637 2/20 0.39
NFKB1 P19838 2/20 0.39
THPO P40225 2/20 0.39
GMNN O75496 2/20 0.39
PMP22 Q01453 2/20 0.39
CYP2C19 P33261 2/20 0.39
MTOR P42345 2/20 0.39
STAT6 P42226 1/20 0.39
HIF1A Q16665 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TFPI2 P48307 1/20 0.38
GRM2 Q14416 2/20 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
SCHEMBL27993146 0.78 LMNA (0.39) LMNAMAPK1TP53NFKB1THPO
SCHEMBL1547983 0.75 MAPK1 (0.45) LMNAMAPK1TP53NFKB1THPO
SCHEMBL28194331 0.75 MAPK1 (0.36) LMNAMAPK1TP53NFKB1THPO
SCHEMBL175503 0.74 MAPK1 (0.35) LMNAMAPK1TP53NFKB1THPO
SCHEMBL16005 0.74 MAPK1 (0.35) LMNAMAPK1TP53NFKB1THPO
SCHEMBL28539549 0.72 MAPK1 (0.34) LMNAMAPK1TP53NFKB1THPO
SCHEMBL27957856 0.72 MAPK1 (0.38) LMNAMAPK1TP53NFKB1THPO
SCHEMBL1860545 0.71 MAPK1 (0.37) LMNAMAPK1TP53NFKB1THPO
SCHEMBL6849350 0.71 MAPK1 (0.33) LMNAMAPK1TP53NFKB1THPO
SCHEMBL741407 0.71 MAPK1 (0.37) LMNAMAPK1TP53NFKB1THPO

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3317318-B1 A THERMOSETTING EPOXY RESIN COMPOSITION FOR THE PREPARATION OF OUTDOOR ARTICLES, AND THE ARTICLES OBTAINED THEREFROM HUNTSMAN ADV MAT LICENSING SWITZERLAND GMBH (CH) 2019-04-24 EP claimed
CN-104840449-B A kind of medicine patch and preparation method thereof 崔建平 2018-05-18 CN disclosed
EP-0479166-A1 Transesterification process for preparation of cycloaliphatic epoxides UNION CARBIDE CHEMICALS AND PLASTICS COMPANY, INC. (US) 1992-04-08 EP disclosed