SCHEMBL23929280

SCHEMBL23929280

CCNCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(N)=O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.50
CYP1A2 P05177 2/20 0.50
PAOX Q6QHF9 3/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
KDM1A O60341 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GLA P06280 1/20 0.46
SOAT1 P35610 2/20 0.45
FAAH O00519 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.44
KDM4E B2RXH2 2/20 0.41
HDAC6 Q9UBN7 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
SCHEMBL16306515 1.00 CYP2C19 (0.50) CYP2C19CYP1A2PAOXMAOAMAOB
SCHEMBL25950295 0.98 CYP2C19 (0.52) CYP2C19CYP1A2PAOXMAOAMAOB
SCHEMBL3927721 0.91
SCHEMBL21611688 0.85 GAA (0.42) CYP2C19CYP1A2PAOXMAOAMAOB
Octadecanoic Acid Amide SCHEMBL28253450 0.85 SOAT1 (0.50) CYP2C19CYP1A2MEN1KMT2ASOAT1
SCHEMBL24065981 0.84 PAOX (0.55) CYP2C19CYP1A2PAOXMAOAMAOB
SCHEMBL7389965 0.84 PAOX (0.55) CYP2C19CYP1A2PAOXMAOAMAOB
SCHEMBL23929253 0.84 SOAT1 (0.53) CYP2C19CYP1A2PAOXMAOAMAOB
SCHEMBL22834949 0.84 SOAT1 (0.53) CYP2C19CYP1A2PAOXMAOAMAOB
SCHEMBL25185288 0.84 SOAT1 (0.59) CYP2C19CYP1A2PAOXMEN1KMT2A

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
EP-4168009-A1 CONJUGATES OF A CELL-BINDING MOLECULE WITH CAMPTOTHECIN ANALOGS Hangzhou DAC Biotech Co., Ltd. (CN) 2023-04-26 EP disclosed
WO-2022078524-A4 SPECIFIC CONJUGATION OF AN ANTIBODY HANGZHOU DAC BIOTECH CO., LTD. (CN) 2022-12-08 WO disclosed
WO-2022078524-A2 SPECIFIC CONJUGATION OF AN ANTIBODY HANGZHOU DAC BIOTECH CO., LTD. (CN) 2022-04-21 WO disclosed
WO-2021212638-A1 CONJUGATES OF A CELL-BINDING MOLECULE WITH CAMPTOTHECIN ANALOGS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-10-28 WO disclosed