SCHEMBL21456368

SCHEMBL21456368

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ FFAR1 O14842 4/20 0.42
▸ MTNR1A P48039 2/20 0.41
▸ MTNR1B P49286 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ PPARG P37231 2/20 0.40
▸ PPARD Q03181 2/20 0.40
▸ PPARA Q07869 2/20 0.40

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
SCHEMBL21456381 0.90 FFAR1 (0.46) POLBKDM4ELMNAMAPTMEN1
SCHEMBL21456229 0.89 KDM4E (0.46) POLBKDM4ELMNAMAPTMEN1
SCHEMBL29838023 0.88 MTNR1A (0.43) POLBKDM4ELMNAMAPTMEN1
SCHEMBL21456202 0.88 MTNR1A (0.43) POLBKDM4ELMNAMAPTMEN1
SCHEMBL29556550 0.87 MTNR1A (0.43) POLBKDM4ELMNAMAPTMEN1
SCHEMBL21455853 0.87 MTNR1A (0.43) POLBKDM4ELMNAMAPTMEN1
SCHEMBL22973543 0.87 MTNR1A (0.46) POLBKDM4ELMNAMAPTMEN1
SCHEMBL21456201 0.87 MTNR1A (0.46) POLBKDM4ELMNAMAPTMEN1
SCHEMBL29838052 0.87 MTNR1A (0.46) POLBKDM4ELMNAMAPTMEN1
SCHEMBL21455854 0.86 KDM4E (0.44) 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 4 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
WO-2019194306-A1 NOVEL PENAM DERIVATIVES OR SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF 富士フイルム株式会社 2019-10-10 — — WO disclosed
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