SCHEMBL29556671

SCHEMBL29556671

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ PLA2G4B P0C869 1/20 0.45
▸ FFAR1 O14842 2/20 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
▸ HRH3 Q9Y5N1 1/20 0.44
▸ PTPRC P08575 1/20 0.43
▸ PTPN2 P17706 1/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ MRGPRX4 Q96LA9 3/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43

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
SCHEMBL15680349 1.00 POLB (0.47) POLBNPC1RAB9ASMN1; SMN2PLA2G4B
SCHEMBL21456035 0.90 POLB (0.45) POLBNPC1RAB9ASMN1; SMN2PLA2G4B
SCHEMBL29557301 0.90 POLB (0.45) POLBNPC1RAB9ASMN1; SMN2PLA2G4B
SCHEMBL9356550 0.90 POLB (0.52) POLBNPC1RAB9ASMN1; SMN2PLA2G4B
SCHEMBL20886449 0.88 POLB (0.47) POLBNPC1RAB9ASMN1; SMN2PLA2G4B
SCHEMBL29556668 0.88 POLB (0.47) POLBNPC1RAB9ASMN1; SMN2PLA2G4B
SCHEMBL15680328 0.88 POLB (0.45) POLBNPC1RAB9ASMN1; SMN2PLA2G4B
SCHEMBL12381629 0.87 MAOB (0.50) POLBNPC1RAB9ASMN1; SMN2PLA2G4B
SCHEMBL15680534 0.87 POLB (0.43) POLBNPC1RAB9ASMN1; SMN2PLA2G4B
SCHEMBL21456202 0.87 MTNR1A (0.43) POLBNPC1RAB9ASMN1; SMN2PLA2G4B

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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