SCHEMBL9331303

SCHEMBL9331303

O=[C]C(NC(=O)c1ccc(O)c(O)c1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 3/20 0.50
▸ TERT O14746 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.47
▸ MAPT P10636 2/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ CA4 P22748 1/20 0.43
▸ CA6 P23280 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ S1PR3 Q99500 1/20 0.42
▸ HPGDS O60760 1/20 0.42
▸ PLTP P55058 1/20 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
SCHEMBL9795277 0.83 HPGDS (0.49) HDAC6KDM4EGAAHPGDSALDH1A1
SCHEMBL8082564 0.75 MEN1 (0.49) MAPTCA1CA2KDM4ECA12
SCHEMBL8075796 0.74 GFER (0.46) MAPTCA1CA2KDM4ECA12
SCHEMBL11281583 0.71 CA1 (0.49) TOP1TERTHDAC6MAPTCA1
SCHEMBL8080717 0.71 RRM1 (0.46) TOP1TERTHDAC6MAPTKDM4E
SCHEMBL9347342 0.71 EGLN1 (0.43) MAPTKDM4EALDH1A1
SCHEMBL11532618 0.71 ALDH1A1 (0.56) HDAC6CA1CA12POLBCA9
SCHEMBL15631139 0.71 HDAC6 (0.60) TOP1TERTHDAC6MAPTCA1
SCHEMBL11700544 0.71 MTNR1A (0.44) KDM4EPOLBALDH1A1
SCHEMBL7398090 0.71 LMNA (0.50) HDAC6GAAALDH1A1

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 10 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-4826834-A BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-05-02 — — 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-0216385-A2 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1987-04-01 — — 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-0164122-A2 Cephem compounds 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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