SCHEMBL9332120

SCHEMBL9332120

CCN1CCN(C(=O)NC(=O)Cc2ccc(O)cc2)C(=O)C1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ BCHE P06276 2/20 0.38
▸ ACHE P22303 2/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ ME3 Q16798 1/20 0.36
▸ ESRRB O95718 1/20 0.35
▸ ESRRG P62508 1/20 0.35
▸ NPC1L1 Q9UHC9 1/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CAMK2A Q9UQM7 1/20 0.35
▸ HPGD P15428 1/20 0.34

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
SCHEMBL6886087 1.00 POLB (0.39) POLBNPC1RAB9ALMNAGAA
SCHEMBL9330058 0.88 KMT2A (0.43) POLBLMNAGAAL3MBTL1SIGMAR1
SCHEMBL9329042 0.86 POLB (0.37) POLBGAAL3MBTL1SMN1; SMN2HDAC1
SCHEMBL9331974 0.86 HTT (0.49) NPC1RAB9ALMNAGAASIGMAR1
SCHEMBL10361855 0.83 FAAH (0.49) NPC1RAB9AL3MBTL1SMN1; SMN2HPGD
SCHEMBL22726436 0.73 PDE2A (0.40) POLBLMNAGAAL3MBTL1SMN1; SMN2
Water SCHEMBL8600958 0.73 POLB (0.45) POLBNPC1RAB9ALMNAL3MBTL1
SCHEMBL9327248 0.72 MAPT (0.46) POLBGAAL3MBTL1SMN1; SMN2HDAC1
SCHEMBL10205112 0.72 MAPT (0.39) POLBGAAL3MBTL1SMN1; SMN2HDAC1
SCHEMBL9567734 0.72 MAPT (0.46) POLBGAAL3MBTL1SMN1; SMN2HDAC1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0225634-B1 Antibacterial compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-04-06 — — EP disclosed
US-4946837-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-08-07 — — US disclosed
US-4839351-A Antibacterial compounds, and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-06-13 — — US disclosed
US-4788185-A Cephalosporin compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-11-29 — — US disclosed
US-4665065-A 3-pyrazolo(1,5-aαpyridinium cephem compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-05-12 — — US disclosed
EP-0164122-A2 Cephem compounds Takeda Chemical Industries, Ltd. (JP) 1985-12-11 — — EP disclosed
EP-0164113-A2 3-pyrazolo(1,5-a)pyridinium cephem compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-12-11 — — EP disclosed
EP-0160252-A2 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1985-11-06 — — EP disclosed
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