SCHEMBL29039482

SCHEMBL29039482

O=C(O)C(Br)CCC1CCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.39
PPARD Q03181 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
METAP1 P53582 1/20 0.39
SLC1A3 P43003 4/20 0.37
SLC1A2 P43004 4/20 0.37
SLC1A1 P43005 4/20 0.37
HPGD P15428 1/20 0.32
ALOX5 P09917 2/20 0.32
PPARG P37231 1/20 0.32
ANPEP P15144 1/20 0.31
CPN1 P15169 1/20 0.31
CPB2 Q96IY4 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL29039480 1.00 LCK (0.39) LCKPPARDZDHHC20ZDHHC2ALDH1A1
SCHEMBL18281714 0.80 METAP1 (0.42) METAP1SLC1A3SLC1A2SLC1A1HPGD
SCHEMBL19945731 0.78 ALDH1A1 (0.42) LCKPPARDZDHHC20ZDHHC2ALDH1A1
SCHEMBL29018457 0.78 ALDH1A1 (0.42) LCKPPARDZDHHC20ZDHHC2ALDH1A1
SCHEMBL8214327 0.77 TET2 (0.43) METAP1SLC1A3SLC1A2SLC1A1
SCHEMBL1734364 0.76 METAP1 (0.47) METAP1SLC1A3SLC1A2SLC1A1HPGD
SCHEMBL25356227 0.75 METAP1 (0.47) ALDH1A1METAP1SLC1A3SLC1A2SLC1A1
SCHEMBL25662123 0.75 METAP1 (0.47) ALDH1A1METAP1SLC1A3SLC1A2SLC1A1
SCHEMBL4407623 0.75 METAP1 (0.47) ALDH1A1METAP1SLC1A3SLC1A2SLC1A1
SCHEMBL1565314 0.74 ALDH1A1 (0.42) ALDH1A1TSHRSLC1A3SLC1A2SLC1A1

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
CN-116262735-A Novel oxo-pyridine compound and preparation method and application thereof 成都施贝康生物医药科技有限公司 2023-06-16 CN disclosed
CN-116262724-A Novel oxo-pyridine compound and preparation method and application thereof 成都施贝康生物医药科技有限公司 2023-06-16 CN disclosed