SCHEMBL11052857

SCHEMBL11052857

CC(=O)Oc1ccc2cc(C(=O)Cl)c(=O)oc2c1OC(C)=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 5/20 0.62
▸ ADORA2A P29274 4/20 0.62
▸ ADORA1 P30542 2/20 0.62
▸ TMIGD3 P0DMS9 2/20 0.57
▸ MAPT P10636 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ CA12 O43570 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ MAOB P27338 2/20 0.43
▸ MAOA P21397 2/20 0.43
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA3 P07451 1/20 0.42
▸ CA4 P22748 1/20 0.42
▸ CA6 P23280 1/20 0.42
▸ CA5A P35218 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42

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
SCHEMBL9319268 0.88 ADORA3 (0.67) ADORA3ADORA2AADORA1TMIGD3MAPT
SCHEMBL4770043 0.82 ADORA3 (0.66) ADORA3ADORA2AADORA1TMIGD3MAPT
SCHEMBL2791078 0.77 MAOA (0.64) ADORA3ADORA2AADORA1TMIGD3MAPT
SCHEMBL8122887 0.77 ADORA3 (0.80) ADORA3ADORA2AADORA1TMIGD3MAPT
SCHEMBL10650556 0.76 CA12 (0.56) MAPTKDM4EHSD17B10CA12CA9
SCHEMBL8107293 0.75 ADORA3 (1.00) ADORA3ADORA2AADORA1TMIGD3KDM4E
SCHEMBL8116456 0.75 ADORA3 (0.82) ADORA3ADORA2AADORA1TMIGD3KDM4E
SCHEMBL8115217 0.74 ADORA3 (0.80) ADORA3ADORA2AADORA1TMIGD3MAPT
SCHEMBL8115882 0.74 ADORA3 (0.80) ADORA3ADORA2AADORA1TMIGD3KDM4E
SCHEMBL8124511 0.74 ADORA2A (0.77) ADORA3ADORA2AADORA1TMIGD3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4468394-A Cephalosporin compounds EISAI CO., LTD. (JP) 1984-08-28 — — US disclosed
US-4415567-A A 7B-CHROMONE-3-CARBOXAMIDO-2-/4-HYDROXY PHENYL/ACETAMIDO-2-CEPHEM DERIVATIVE EISAI CO., LTD. (JP) 1983-11-15 — — US disclosed
EP-0062328-A2 Novel penicillin and cephalosporin compounds, a process for preparing the same and antibacterial composition containing the novel compounds Eisai Co., Ltd. (JP) 1982-10-13 — — EP disclosed
US-4344944-A 7-α-methoxycephalosporin derivatives, and antibacterial drugs onctaining the same EISAI CO., LTD. (JP) 1982-08-17 — — US disclosed
US-4285940-A ANTIBIOTICS EISAI CO., LTD. (JP) 1981-08-25 — — US disclosed
US-4285941-A ANTIBIOTICS EISAI CO., LTD. (JP) 1981-08-25 — — US disclosed
US-4285939-A ANTIBIOTICS EISAI CO., LTD. (JP) 1981-08-25 — — US disclosed
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