SCHEMBL28009579

SCHEMBL28009579

O=C(COCC(O)CO)OCCOCCO

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.36
KDM4E B2RXH2 1/20 0.36
DUSP3 P51452 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
EPHX2 P34913 1/20 0.32
DGKA P23743 1/20 0.31
CNR2 P34972 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
FAAH O00519 2/20 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
SCHEMBL27916965 0.88 MEN1 (0.44) MEN1KMT2AUSP2KDM4EDUSP3
SCHEMBL27997543 0.84 MEN1 (0.46) MEN1KMT2AUSP2KDM4EDUSP3
SCHEMBL1685688 0.81 LMNA (0.50) MEN1KMT2AUSP2KDM4EDUSP3
SCHEMBL4528968 0.81 MEN1 (0.52) MEN1KMT2AUSP2LMNATSHR
SCHEMBL181784 0.80 KDM4E (0.59) MEN1KMT2AKDM4EDUSP3LMNA
SCHEMBL541678 0.79 MEN1 (0.55) MEN1KMT2AUSP2KDM4ELMNA
SCHEMBL12050435 0.79 MEN1 (0.55) MEN1KMT2AUSP2KDM4ELMNA
SCHEMBL5713071 0.79 MEN1 (0.55) MEN1KMT2AUSP2KDM4ELMNA
SCHEMBL11352485 0.79 MEN1 (0.55) MEN1KMT2AUSP2KDM4ELMNA
SCHEMBL27620890 0.79 MEN1 (0.55) MEN1KMT2AUSP2KDM4ELMNA

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-104493101-A Rapid prototyping system and method for high-precision ester cured water glass sand mold/core MAANSHAN SANCHUAN EQUIPMENT TECH AND TECHNOLOGY CO LTD 2015-04-08 CN disclosed