SCHEMBL29729331

SCHEMBL29729331

COC(=O)c1cc(OCCCN2C(=O)c3ccccc3C2=O)c(OC)cc1N

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
MAPT P10636 4/20 0.54
KDM4E B2RXH2 1/20 0.54
MAPK1 P28482 1/20 0.51
TSHR P16473 1/20 0.49
HTR4 Q13639 3/20 0.48
POLB P06746 1/20 0.48
HSP90AA1 P07900 2/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
RAB9A P51151 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL25039756 1.00 ALDH1A1 (0.54) ALDH1A1MAPTKDM4EMAPK1TSHR
SCHEMBL25040532 0.97 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EMAPK1TSHR
SCHEMBL29729346 0.97 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EMAPK1TSHR
SCHEMBL25039579 0.94 KDM4E (0.56) ALDH1A1MAPTKDM4EMAPK1TSHR
SCHEMBL25039578 0.94 KDM4E (0.56) ALDH1A1MAPTKDM4EMAPK1TSHR
SCHEMBL31741747 0.83 RAB9A (0.55) ALDH1A1MAPTKDM4EMAPK1TSHR
SCHEMBL29729350 0.83 RAB9A (0.55) ALDH1A1MAPTKDM4EMAPK1TSHR
SCHEMBL25039181 0.83 RAB9A (0.55) ALDH1A1MAPTKDM4EMAPK1TSHR
SCHEMBL23489020 0.81 ALDH1A1 (0.61) ALDH1A1MAPTKDM4EMAPK1TSHR
SCHEMBL30231993 0.81 ALDH1A1 (0.61) ALDH1A1MAPTKDM4EMAPK1TSHR

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
EP-4069252-B1 PDIA4 INHIBITORS AND USE THEREOF FOR INHIBITING SS-CELL PATHOGENESIS AND TREATING DIABETES ACADEMIA SINICA (CN) 2025-12-10 EP disclosed
CN-114761025-B PDIA4 inhibitors and their use for inhibiting beta cell pathologies and for treating diabetes 施明哲 2024-03-12 CN disclosed
CN-114761025-A PDIA4 inhibitor and application thereof in inhibiting beta cell pathology and treating diabetes 施明哲 2022-07-15 CN disclosed