SCHEMBL29958702

SCHEMBL29958702

COC(=O)C1CCc2ccc(Cl)cc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.40
PARP1 P09874 1/20 0.40
F3 P13726 1/20 0.40
PARP10 Q53GL7 1/20 0.40
SLC6A3 Q01959 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL27033724 1.00 F7 (0.40) F7PARP1F3PARP10SLC6A3
SCHEMBL23460007 0.85 MEN1 (0.57) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL38662922 0.84 ACHE (0.45) PARP1PARP10KDM4EMEN1ALDH1A1
SCHEMBL23461083 0.84 ACHE (0.45) PARP1PARP10KDM4EMEN1ALDH1A1
SCHEMBL28579183 0.83 TDP1 (0.40) PARP1PARP10SLC6A3KDM4EMEN1
SCHEMBL345475 0.83 ACHE (0.51)
SCHEMBL7118501 0.83 ACHE (0.47) PARP1PARP10PSEN1PSEN2APH1B
SCHEMBL2259984 0.82 ALDH1A1 (0.45) KDM4EALDH1A1HSD17B10
SCHEMBL19469643 0.81 HTR2B (0.41)
SCHEMBL7753026 0.81 SLC6A2 (0.40) KDM4EMEN1ALDH1A1GAAMAPT

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-4308228-A1 PLASMA KALLIKREIN INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2024-01-24 EP disclosed
CN-117396474-A Plasma kallikrein inhibitors 武田药品工业株式会社 2024-01-12 CN disclosed
WO-2022197756-A1 PLASMA KALLIKREIN INHIBITORS SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 WO disclosed