SCHEMBL20988620

SCHEMBL20988620

O=C(O)CCC(=O)OCCCn1c(=O)n(CCO)c(=O)n(CCOC(=O)CCC(=O)O)c1=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.36
NPC1 O15118 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TNF P01375 5/20 0.31
CYP2C19 P33261 1/20 0.31
MAPT P10636 2/20 0.31
RECQL P46063 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PLA2G4A P47712 1/20 0.31
CASP6 P55212 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL20988619 0.97 APEX1 (0.38) APEX1NPC1MEN1KMT2AMAPK1
SCHEMBL20988621 0.94 APEX1 (0.40) APEX1NPC1MEN1KMT2AGAA
SCHEMBL19982837 0.94 APEX1 (0.40) APEX1NPC1MEN1KMT2AGAA
SCHEMBL17467863 0.94 APEX1 (0.40) APEX1NPC1MEN1KMT2AGAA
SCHEMBL29227235 0.88 APEX1 (0.38) APEX1NPC1GAAKDM4EALDH1A1
SCHEMBL17467862 0.87 APEX1 (0.44) APEX1NPC1MEN1KMT2AGAA
SCHEMBL23041392 0.84 DGKA (0.40) MEN1KMT2AGAAKDM4EMAPK1
SCHEMBL17467860 0.81 TSHR (0.42) APEX1NPC1MEN1KMT2AGAA
SCHEMBL20963203 0.77 MEN1 (0.39) APEX1MEN1KMT2AGAAMAPK1
SCHEMBL19420278 0.75 MEN1 (0.45) MEN1KMT2AGAAMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11370913-B2 Thermoplastic elastomer composition, method for producing the same, and elastomer molded body ENEOS CORPORATION (JP) 2022-06-28 US disclosed
US-20190136052-A1 THERMOPLASTIC ELASTOMER COMPOSITION, METHOD FOR PRODUCING THE SAME, AND ELASTOMER MOLDED BODY JXTG NIPPON OIL & ENERGY CORPORATION (JP) 2019-05-09 US disclosed