SCHEMBL8549252

SCHEMBL8549252

CCOC(=O)C(=O)NC#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
TSHR P16473 1/20 0.52
EGLN1 Q9GZT9 1/20 0.50
GAA P10253 6/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GPR35 Q9HC97 3/20 0.46
CYP2C9 P11712 1/20 0.44
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL10885996 0.79
SCHEMBL9768585 0.77
SCHEMBL29172341 0.77
SCHEMBL10766395 0.75
SCHEMBL259628 0.73
SCHEMBL7225123 0.73
Silicate SCHEMBL11566353 0.72 ALDH1A1 (0.42) ALDH1A1TSHRGAAL3MBTL1GPR35
SCHEMBL13589411 0.71 EGLN1 (0.65) ALDH1A1EGLN1GAAGPR35MAPT
SCHEMBL923438 0.71 EGLN1 (0.65) ALDH1A1EGLN1GAAGPR35MAPT
SCHEMBL2701001 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4602064-A1 METHOD OF MANUFACTURING A PEPTIDE WITH A LYSINE DERIVATIVE Bachem Holding AG (CH) 2025-08-20 EP disclosed
WO-2024079043-A1 METHOD OF MANUFACTURING A PEPTIDE WITH A LYSINE DERIVATIVE BACHEM HOLDING AG (CH) 2024-04-18 WO disclosed
CN-113366010-A Terpenoid derivative and application thereof 四川海思科制药有限公司 2021-09-07 CN disclosed
EP-0649845-B1 Furanyl insecticide MITSUI CHEMICALS INC (JP) 1998-07-22 EP disclosed
US-5532365-A NITROGUANIDINE COMPOUNDS AS INSECTICIDES MITSUI TOATSU CHEMICALS, INC. (JP) 1996-07-02 US disclosed
US-5434181-A FOR USE IN AGRICULTURAL CHEMICALS MITSUI TOATSU CHEMICALS, INC. (JP) 1995-07-18 US disclosed
EP-0649845-A1 Furanyl insecticide MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-04-26 EP disclosed
US-4842639-A HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-06-27 US disclosed
EP-0083975-B1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-11-19 EP disclosed