SCHEMBL29557301

SCHEMBL29557301

COc1ccc(COc2ccc(C(=O)C(=O)Cl)c(Cl)c2OCc2ccc(OC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ PLA2G4B P0C869 1/20 0.42
▸ FFAR1 O14842 1/20 0.42
▸ MTNR1A P48039 1/20 0.41
▸ MTNR1B P49286 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HTT P42858 1/20 0.41

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
SCHEMBL21456035 1.00 POLB (0.45) POLBKDM4ELMNAMAPTMEN1
SCHEMBL20886449 0.91 POLB (0.47) POLBKDM4ELMNAMAPTMEN1
SCHEMBL29556668 0.91 POLB (0.47) POLBKDM4ELMNAMAPTMEN1
SCHEMBL15680349 0.90 POLB (0.47) POLBKDM4ELMNAMAPTMEN1
SCHEMBL29556671 0.90 POLB (0.47) POLBKDM4ELMNAMAPTMEN1
SCHEMBL9356550 0.87 POLB (0.52) POLBKDM4ELMNAMAPTMEN1
SCHEMBL12381629 0.87 MAOB (0.50) POLBKDM4ELMNAMAPTMEN1
SCHEMBL15680534 0.87 POLB (0.43) POLBKDM4ELMNAMAPTMEN1
SCHEMBL15495478 0.86 LMNA (0.47) POLBKDM4ELMNAMAPTMEN1
SCHEMBL14699786 0.86 MAPT (0.48) POLBKDM4ELMNAMAPTMEN1

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
CN-114531850-B Pharmaceutical composition and kit characterized by containing novel penicillin derivative or salt thereof and at least 1 compound selected from beta-lactamase inhibitory compound and antibacterial compound or salt thereof 富士胶片株式会社 2024-08-06 — — CN disclosed
CN-111954673-B New penam derivatives or salts thereof, pharmaceutical compositions and uses thereof 富士胶片株式会社 2023-09-05 — — CN disclosed
CN-114531850-A Pharmaceutical composition and kit characterized by containing novel penicillin derivative or salt thereof and 1 or more compounds selected from beta-lactamase inhibitory compound and antibacterial compound or salt thereof 富士胶片株式会社 2022-05-24 — — CN disclosed
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