SCHEMBL9367369

SCHEMBL9367369

COC(Cn1cc(OC(c2ccccc2)c2ccccc2)c(=O)cc1CO)OC

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
COMT P21964 4/20 0.36
LMNA P02545 1/20 0.33
P2RX7 Q99572 1/20 0.31
PDE10A Q9Y233 1/20 0.30
OXTR P30559 1/20 0.30
TEAD4 Q15561 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
TNF P01375 1/20 0.30

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
SCHEMBL1686852 0.83 COMT (0.40) COMT
SCHEMBL9370311 0.82 COMT (0.38) COMTLMNATNF
SCHEMBL9366201 0.81 P2RX7 (0.32) P2RX7HDAC4HDAC8
SCHEMBL1686711 0.81 COMT (0.38) COMTLMNAPDE10AOXTRTEAD4
SCHEMBL9367570 0.81 COMT (0.40) COMTLMNA
SCHEMBL9367581 0.80 COMT (0.37) COMTLMNA
SCHEMBL1686843 0.80 COMT (0.41) COMTTEAD4
SCHEMBL9366217 0.79 COMT (0.36) COMTLMNA
SCHEMBL9366982 0.78 COMT (0.38) COMTTEAD4HDAC4HDAC8
SCHEMBL6181240 0.78 COMT (0.40) COMTTEAD4

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
EP-0349340-B1 Novel cephem compound, method for producing the same and anti-bacterial agent MEIJI SEIKA CO (JP) 1994-09-07 EP disclosed
US-4988686-A Cephalosporin antibiotics MEIJI SEIKA KABUSHIKI KAISHA (JP) 1991-01-29 US disclosed
EP-0349340-A2 Novel cephem compound, method for producing the same and anti-bacterial agent MEIJI SEIKA KABUSHIKI KAISHA (JP) 1990-01-03 EP disclosed