SCHEMBL28032435

SCHEMBL28032435

CCCCCC(N)(Br)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.39
SMPD1 P17405 5/20 0.39
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DGAT1 O75907 1/20 0.34
CES2 O00748 1/20 0.34
S1PR4 O95977 2/20 0.33
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
S1PR5 Q9H228 1/20 0.33
GGPS1 O95749 1/20 0.32

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
SCHEMBL150072 0.81 FDPS (0.41) FDPSSMPD1MEN1MAPTKMT2A
SCHEMBL2239348 0.80 FDPS (0.40) FDPSSMPD1GGPS1
Hydrochloric Acid SCHEMBL2418361 0.80 FDPS (0.40) FDPSSMPD1MEN1MAPTKMT2A
SCHEMBL10706328 0.80 SMPD1 (0.43) FDPSSMPD1MEN1MAPTKMT2A
SCHEMBL29087510 0.80 SMPD1 (0.43) FDPSSMPD1MEN1MAPTKMT2A
SCHEMBL31319781 0.77 DGAT1 (0.39) FDPSSMPD1MEN1MAPTKMT2A
SCHEMBL17756699 0.77 CYP4F2 (0.47) FDPSSMPD1MEN1MAPTKMT2A
SCHEMBL17768312 0.76 SMPD1 (0.40) FDPSSMPD1MEN1MAPTKMT2A
SCHEMBL4825036 0.76 SMPD1 (0.40) FDPSSMPD1MEN1MAPTKMT2A
SCHEMBL29762781 0.76 SMPD1 (0.40) FDPSSMPD1MEN1MAPTKMT2A

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
CN-113908291-A Method for producing immunoligand/effector molecule conjugates by sequence-specific transpeptidases 恩比伊治疗股份公司 2022-01-11 CN disclosed
CN-105142675-B Method for producing immunoligand/effector molecule conjugates by sequence-specific transpeptidases 恩比伊治疗股份公司 2021-08-20 CN disclosed
CN-103153345-B Amatoxin conjugates with improved linkers 海德堡医药有限责任公司 2016-08-10 CN disclosed
CN-103442736-B Amatoxin conjugates with improved bonding HEIDELBERG PHARMA GMBH (DE) 2015-09-30 CN disclosed