SCHEMBL30002074

SCHEMBL30002074

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCc1ccc(OCc2cccc(F)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.54
MAOA P21397 4/20 0.54
SIRT2 Q8IXJ6 2/20 0.54
ALDH1A1 P00352 3/20 0.53
HDAC1 Q13547 2/20 0.51
SCN9A Q15858 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
CYP2C19 P33261 1/20 0.47
APP P05067 1/20 0.47
HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL30002126 0.90 ALDH1A1 (0.56) SIRT2ALDH1A1HDAC1MEN1KMT2A
SCHEMBL22163627 0.89 HDAC1 (0.62) SIRT2ALDH1A1HDAC1MEN1KMT2A
SCHEMBL30001961 0.85 HDAC1 (0.53) SIRT2ALDH1A1HDAC1MEN1KMT2A
SCHEMBL30002020 0.85 ALDH1A1 (0.65) SIRT2ALDH1A1HDAC1MEN1KMT2A
SCHEMBL30001630 0.85 MAOB (0.60) MAOBMAOAALDH1A1HDAC1SCN9A
SCHEMBL7989544 0.83 ALDH1A1 (0.66) ALDH1A1MEN1KMT2ACYP3A4CYP2C9
SCHEMBL20510488 0.83 ALDH1A1 (0.52) SIRT2ALDH1A1MEN1KMT2AAPP
SCHEMBL20510486 0.83 ALDH1A1 (0.52) SIRT2ALDH1A1MEN1KMT2AAPP
SCHEMBL30001634 0.83 GPR119 (0.52) MAOBMAOAALDH1A1SCN9A
SCHEMBL28629216 0.83 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ACYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117677382-A Benzyloxy benzylamino amino acid derivatives that modulate TSLP/TSLPR signaling 阿米蒂比奥有限公司 2024-03-08 CN claimed
CN-117677382-A Benzyloxy benzylamino amino acid derivatives that modulate TSLP/TSLPR signaling 阿米蒂比奥有限公司 2024-03-08 CN disclosed
CN-110325509-B Functional derivative compounds of alanine and proline amino acids and pharmaceutical compositions containing the same 阿米蒂比奥有限公司 2024-02-02 CN disclosed
CN-116836083-A Functional derivative compounds of alanine and proline amino acids and pharmaceutical compositions containing the same 阿米蒂比奥有限公司 2023-10-03 CN disclosed
WO-2022255801-A1 BENZYLOXY-BENZYLAMINYL AMINO ACID DERIVATIVE FOR ADJUSTING TSLP/TSLPR SIGNAL TRANSMISSION (주)앰틱스바이오 2022-12-08 WO disclosed