SCHEMBL23929253

SCHEMBL23929253

CCCCNCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(N)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 2/20 0.53
MEN1 O00255 1/20 0.53
FAAH O00519 1/20 0.53
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 1/20 0.53
PAOX Q6QHF9 3/20 0.52
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
KDM4E B2RXH2 2/20 0.48
EPHX1 P07099 3/20 0.48
S1PR2 O95136 5/20 0.47
S1PR4 O95977 5/20 0.47
S1PR1 P21453 5/20 0.47
S1PR3 Q99500 5/20 0.47
S1PR5 Q9H228 1/20 0.47
CASP2 P42575 1/20 0.45
MAOA P21397 1/20 0.45

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
SCHEMBL22834949 1.00 SOAT1 (0.53) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL13469009 0.98 TSHR (0.52) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL28375298 0.96 SOAT1 (0.59) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL28928375 0.96 SOAT1 (0.59) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL28164599 0.96 SOAT1 (0.59) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL25185288 0.96 SOAT1 (0.59) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL16620178 0.96 SOAT1 (0.59) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL28888916 0.96 SOAT1 (0.59) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL28816812 0.96 SOAT1 (0.59) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL24065981 0.91 PAOX (0.55) SOAT1MEN1FAAHTP53CYP1A2

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 2 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-2021212638-A1 CONJUGATES OF A CELL-BINDING MOLECULE WITH CAMPTOTHECIN ANALOGS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-10-28 WO disclosed