SCHEMBL30002020

SCHEMBL30002020

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCc1ccc(OCc2ccc(Cl)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.65
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HDAC1 Q13547 3/20 0.53
POLB P06746 1/20 0.49
PKM P14618 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPC1 O15118 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.48
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
APP P05067 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HDAC2 Q92769 1/20 0.46

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
SCHEMBL13374829 0.92 ALDH1A1 (0.74) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL22163627 0.91 HDAC1 (0.62) ALDH1A1MEN1KMT2AHDAC1PKM
SCHEMBL30002126 0.91 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AHDAC1PKM
SCHEMBL30001961 0.89 HDAC1 (0.53) ALDH1A1MEN1KMT2AHDAC1PKM
SCHEMBL22163586 0.85 ALDH1A1 (0.63) ALDH1A1MEN1KMT2APKMSMN1; SMN2
SCHEMBL30002074 0.85 MAOB (0.54) ALDH1A1MEN1KMT2AHDAC1PKM
SCHEMBL10233953 0.84 NPC1 (0.53) ALDH1A1MEN1KMT2AHDAC1SMN1; SMN2
SCHEMBL30002029 0.83 MEN1 (0.54) MEN1KMT2AHDAC1PKMSMN1; SMN2
SCHEMBL23419975 0.82 ALDH1A1 (0.63) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL13374831 0.82 ALDH1A1 (0.60) ALDH1A1MEN1KMT2APOLBSMN1; SMN2

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