SCHEMBL29595371

SCHEMBL29595371

CCOC(=O)C(C#N)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
GAA P10253 1/20 0.49
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 3/20 0.39
LMNA P02545 1/20 0.39
FFAR1 O14842 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TP53 P04637 3/20 0.36
PIN1 Q13526 1/20 0.36
EPHX2 P34913 2/20 0.36
THRB P10828 1/20 0.36
NR1H4 Q96RI1 2/20 0.35
GRIA2 P42262 1/20 0.35
GRIA4 P48058 1/20 0.35

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
SCHEMBL17466005 0.89 MEN1 (0.58) SMN1; SMN2MEN1KMT2AGAAMAPT
SCHEMBL5281345 0.87 MEN1 (0.48) SMN1; SMN2MEN1KMT2AGAAMAPT
SCHEMBL5199966 0.84 MAPT (0.41) MEN1KMT2AMAPTLMNAFFAR1
SCHEMBL28906691 0.84 MAPT (0.43) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL6289274 0.84 SMN1; SMN2 (0.54) SMN1; SMN2MEN1KMT2AGAAMAPT
SCHEMBL13700788 0.81 KMT2A (0.51) SMN1; SMN2MEN1KMT2AGAACYP2C19
SCHEMBL30771326 0.81 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2AGAACYP2C9
SCHEMBL5081149 0.81 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2AGAAMAPT
SCHEMBL360667 0.81 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2AGAACYP2C9
SCHEMBL502194 0.81 SMN1; SMN2 (0.61) SMN1; SMN2MEN1KMT2AGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114349663-B Preparation method of 2-methoxyethyl-2- (4-tert-butylphenyl) cyanate 天津均凯农业科技有限公司 2024-05-28 CN claimed
CN-114349663-B Preparation method of 2-methoxyethyl-2- (4-tert-butylphenyl) cyanate 天津均凯农业科技有限公司 2024-05-28 CN disclosed
CN-114349663-A Preparation method of 2-methoxyethyl-2- (4-tert-butylphenyl) cyanate 天津均凯农业科技有限公司 2022-04-15 CN disclosed
CN-114349663-A Preparation method of 2-methoxyethyl-2- (4-tert-butylphenyl) cyanate 天津均凯农业科技有限公司 2022-04-15 CN disclosed