SCHEMBL28830485

SCHEMBL28830485

Cc1cccc(C(CO)CCCO)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.39
CYP19A1 P11511 3/20 0.38
ACHE P22303 2/20 0.37
AOC3 Q16853 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35
CYP26A1 O43174 1/20 0.34
SLC6A9 P48067 1/20 0.33
PLAT P00750 1/20 0.33
TLR8 Q9NR97 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
RCE1 Q9Y256 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL28830483 1.00 ACP3 (0.39) ACP3CYP19A1ACHEAOC3SLC6A2
SCHEMBL29800155 1.00 ACP3 (0.39) ACP3CYP19A1ACHEAOC3SLC6A2
SCHEMBL27453900 0.85 ACHE (0.46) ACP3CYP19A1ACHEAOC3SLC6A2
SCHEMBL28830526 0.82 HPGD (0.35)
SCHEMBL27347833 0.82 HPGD (0.35)
SCHEMBL2444536 0.82 ACP3 (0.43) ACP3CYP19A1ACHEAOC3SLC6A2
SCHEMBL29800358 0.79 HDAC4 (0.40) CYP19A1AOC3SLC6A2SLC6A4
SCHEMBL28830597 0.79 HDAC4 (0.40) CYP19A1AOC3SLC6A2SLC6A4
SCHEMBL28830598 0.79 HDAC4 (0.40) CYP19A1AOC3SLC6A2SLC6A4
SCHEMBL17747361 0.79 AOC3 (0.47) AOC3TAAR1

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-114957304-B Chiral 1, 5-diborane compound and synthetic method and application thereof 浙江大学 2024-06-21 CN disclosed
CN-114957304-A Chiral 1, 5-diborane compound and synthesis method and application thereof 浙江大学 2022-08-30 CN disclosed