SCHEMBL9065889

SCHEMBL9065889

CCCCC(CCl)(CCCC)OC(=O)CC(=O)OC(CCl)(CCCC)CCCC

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.36
FDPS P14324 1/20 0.34
EPHX1 P07099 5/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
PAM P19021 2/20 0.32
ALDH1A1 P00352 2/20 0.31
TP53 P04637 1/20 0.31
NAAA Q02083 1/20 0.31
DGKA P23743 1/20 0.31
MAPT P10636 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL9065489 0.79 MGAM (0.37) MGAMGAASIMGAM2
SCHEMBL11703203 0.78 EPHX1 (0.38) FAAHFDPSEPHX1NAAADGKA
SCHEMBL28727569 0.78 CA1 (0.39) FDPSEPHX1CA1CA2MGAM
SCHEMBL28026913 0.72 GPR84 (0.42) PAMALDH1A1MEN1KMT2A
SCHEMBL2957094 0.71 MGAM (0.37) MGAMGAASIMGAM2ALDH1A1
SCHEMBL9065496 0.71 LDHA (0.31)
SCHEMBL11703210 0.70 AKR1B1 (0.38) PAMALDH1A1MEN1KMT2A
SCHEMBL27813236 0.70 FDPS (0.37) FDPSEPHX1CA1CA2ALDH1A1
SCHEMBL28691157 0.69 AKR1B1 (0.34) FDPSPAMALDH1A1MEN1KMT2A
SCHEMBL12776906 0.69 ALDH1A1 (0.41) FAAHFDPSEPHX1CA1CA2

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-5569780-A Dialkyl 2-haloethyl malonates HULS AKTIENGESELLSCHAFT (DE) 1996-10-29 US disclosed
US-5463111-A Process for preparing dialkyl 2-haloethyl malonates HULS AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed