SCHEMBL29600453

SCHEMBL29600453

COC(=O)c1ccc2c(c1)CCC(c1ccc(Cl)cc1Cl)C2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.44
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SRD5A1 P18405 1/20 0.40
SRD5A2 P31213 1/20 0.40
MAPT P10636 2/20 0.40
ATM Q13315 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL30548823 1.00 SLC6A3 (0.44) SLC6A3ALDH1A1KDM4EGAAHPGD
SCHEMBL24357853 1.00 SLC6A3 (0.44) SLC6A3ALDH1A1KDM4EGAAHPGD
SCHEMBL31379004 0.94 SLC6A3 (0.42) SLC6A3ALDH1A1KDM4EGAAHPGD
SCHEMBL23551037 0.94 SLC6A3 (0.42) SLC6A3ALDH1A1KDM4EGAAHPGD
SCHEMBL23528113 0.94 SLC6A3 (0.42) SLC6A3ALDH1A1KDM4EGAAHPGD
SCHEMBL19230575 0.90 SLC6A2 (0.41) SLC6A3ALDH1A1SLC6A2SLC6A4ATM
SCHEMBL24429131 0.84 SLC6A2 (0.39) SLC6A3ALDH1A1SLC6A2SLC6A4SRD5A1
SCHEMBL24357662 0.83 SLC6A3 (0.42) SLC6A3ALDH1A1KDM4EGAAHPGD
SCHEMBL29545631 0.83 SLC6A3 (0.42) SLC6A3ALDH1A1KDM4EGAAHPGD
SCHEMBL24357660 0.82 SLC6A3 (0.42) SLC6A3ALDH1A1KDM4EGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119451943-A Novel substituted 4-amino-4-oxo-but-2-enyl derivatives, process for their preparation and their therapeutic use 赛诺菲 2025-02-14 CN disclosed
CN-119032079-A Novel substituted fluorinated vinyl-N-propyl-pyrrolidine compounds, process for their preparation and their therapeutic use 赛诺菲 2024-11-26 CN disclosed
CN-119013254-A Novel substituted fluorinated N-propyl-pyrrolidine and N-propyl-azetidine compounds, processes for their preparation and their therapeutic use 赛诺菲 2024-11-22 CN disclosed
CN-118984820-A Novel substituted fluorinated N-propyl-pyrrolidine compounds, methods for the preparation thereof and therapeutic uses thereof 赛诺菲 2024-11-19 CN disclosed
EP-4228758-A1 SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS AND THEIR DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF Sanofi (FR) 2023-08-23 EP disclosed
CN-116615413-A Substituted 6, 7-dihydro-5H-benzo [7] rotaline compounds and derivatives thereof, method for the production and therapeutic use thereof 赛诺菲 2023-08-18 CN disclosed
WO-2022084280-A1 SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS AND THEIR DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2022-04-28 WO disclosed