SCHEMBL28322152

SCHEMBL28322152

CCOc1cc(N(C)C)ccc1C=CC(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 9/20 0.54
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC8 Q9BY41 5/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAOB P27338 1/20 0.41
PTGS2 P35354 1/20 0.41
FDPS P14324 1/20 0.41

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
SCHEMBL12869658 0.81 MAPT (0.48) BACE1KDM4EKMT2ASMN1; SMN2HDAC8
SCHEMBL21667412 0.79 BACE1 (0.41) BACE1KDM4EALDH1A1MAPTHPGD
SCHEMBL953704 0.78 CYP1A1 (0.56) KDM4EKMT2AALDH1A1MAPTMEN1
SCHEMBL953703 0.78 CYP1A1 (0.56) KDM4EKMT2AALDH1A1MAPTMEN1
SCHEMBL3212560 0.78 BACE1 (0.81) BACE1KMT2AALDH1A1MAPTMEN1
SCHEMBL3212534 0.78 BACE1 (0.81) BACE1KMT2AALDH1A1MAPTMEN1
SCHEMBL19244301 0.77 LMNA (0.60) KDM4EKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL6388238 0.77 LMNA (0.60) KDM4EKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL10935282 0.77 ALDH1A1 (0.54) BACE1KDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL12190688 0.77 TYR (0.46) KMT2ASMN1; SMN2ALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110305024-B Synthetic method of Beloraib intermediate 鲁南制药集团股份有限公司 2021-09-28 CN claimed
CN-110305024-B Synthetic method of Beloraib intermediate 鲁南制药集团股份有限公司 2021-09-28 CN disclosed
CN-110305024-A A kind of synthetic method of Beloranib intermediate 鲁南制药集团股份有限公司 2019-10-08 CN disclosed