Tert-Butyl Formate

Tert-Butyl Formate

SCHEMBL27504348

CC(C)(C)OC=O.CN1CC(O)C(c2ccc(OCCCOCc3ccccc3)cc2)C(O)C1

nearest known ligand 0.45

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 8/20 0.45
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
GBA1 P04062 2/20 0.39
UGCG Q16739 2/20 0.39
GBA2 Q9HCG7 2/20 0.39
S1PR1 P21453 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LTA4H P09960 2/20 0.37
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
Tert-Butyl Formate SCHEMBL27502193 0.90 MAOB (0.42) KDM4EALDH1A1LMNANPC1RAB9A
Tert-Butyl Formate SCHEMBL27489233 0.87 REN (0.59) REN
SCHEMBL6957567 0.80 REN (0.45) RENKDM4EALDH1A1LMNAS1PR1
SCHEMBL6043150 0.79 REN (0.51) RENKDM4EALDH1A1LMNAGBA1
SCHEMBL6043145 0.79 REN (0.51) RENKDM4EALDH1A1LMNAGBA1
SCHEMBL6951449 0.78 REN (0.49) RENKDM4EALDH1A1LMNAGBA1
SCHEMBL7447624 0.77 REN (0.46) RENKDM4EALDH1A1LMNANPC1
Tert-Butyl Formate SCHEMBL27529789 0.76 TDP1 (0.36)
SCHEMBL6955012 0.74 REN (0.41) RENKDM4EALDH1A1LMNAGBA1
SCHEMBL6626123 0.74 REN (0.47) RENL3MBTL1

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
CN-1256326-C Novel 4- (oxoxyphenyl) -3-oxopiperidines for the treatment of cardiac and renal insufficiency HOFFMANN LA ROCHE (CH) 2006-05-17 CN disclosed
CN-1202152-A Novel 4- (oxoxyphenyl) -3-oxopiperidines for the treatment of cardiac and renal insufficiency HOFFMANN LA ROCHE (CH) 1998-12-16 CN disclosed