Ethoxycarbonyl Group

Ethoxycarbonyl Group

SCHEMBL31274005

CC(C)(C)OC(=O)N[n+]1cccc(C=O)c1.CCOC=O

nearest known ligand 0.34

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.34
NPC1 O15118 3/20 0.33
MAPT P10636 3/20 0.33
ATM Q13315 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
AKT1 P31749 2/20 0.32
MIF P14174 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
SYK P43405 1/20 0.32
KDM4A O75164 1/20 0.32
RECQL P46063 1/20 0.32
PTPRB P23467 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL25438024 0.71 PABPC1 (0.38) RAB9ANPC1MAPTCA12CA1
Bromide SCHEMBL18063231 0.68 CA1 (0.41) CA12CA1KMT2A
Ethoxycarbonyl Group SCHEMBL28110990 0.67 CTSK (0.37) RAB9ANPC1MAPTCA12CA1
Ethoxycarbonyl Group SCHEMBL27830700 0.66 GAA (0.46) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
Ethoxycarbonyl Group SCHEMBL27838433 0.65 NAMPT (0.63) RAB9ANPC1MAPTKDM4EKMT2A
SCHEMBL29488493 0.65 HDAC3 (0.54) RAB9ANPC1MAPTCA12CA1
SCHEMBL694391 0.65 HDAC3 (0.54) RAB9ANPC1MAPTCA12CA1
Ethoxycarbonyl Group SCHEMBL31274185 0.64 NAMPT (0.38) RAB9ANPC1MAPTKDM4EMIF
Ethoxycarbonyl Group SCHEMBL28145185 0.64 BTK (0.55) CA1HDAC1HDAC6KMT2A
Ethoxycarbonyl Group SCHEMBL3552678 0.63 GAA (0.39) ALDH1A1HDAC6

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-115867535-B Substituted benzamides as modulators of TREX1 星座制药公司 2024-12-17 CN disclosed