SCHEMBL8519368

SCHEMBL8519368

CC=C1CCCc2c(OC(C(=O)O)n3cc(Cc4ccccc4-c4cccc(Cl)c4)cn3)cccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.33
ALPL P05186 1/20 0.33
ALPI P09923 1/20 0.33
ALPG P10696 1/20 0.33
RIN1 Q13671 1/20 0.33
PDE4B Q07343 2/20 0.33
HTR7 P34969 2/20 0.33
PTGIR P43119 2/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 1/20 0.32

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
SCHEMBL8410501 0.85 PTGIR (0.35) ABL1ALPLALPIALPGRIN1
SCHEMBL8414294 0.85 ABL1 (0.36) ABL1ALPLALPIALPGRIN1
SCHEMBL8813614 0.76 PTGIR (0.43) PDE4BPTGIRPTGDR
SCHEMBL8413662 0.66 PTGIR (0.33) PTGIR
SCHEMBL8812372 0.65 PTGIR (0.59) HTR7PTGIRPTGDR
SCHEMBL8411299 0.65 PTGIR (0.41) PTGIRPTGDR
SCHEMBL8811346 0.63 PTGIR (0.66) PTGIRPTGDR
SCHEMBL8814204 0.63 PTGIR (0.53) PTGIRPTGDR
SCHEMBL8813610 0.61 PTGIR (0.45) PTGIR
SCHEMBL8809666 0.60 PTGIR (0.59) PTGIRPTGDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5962439-A CARDIOVASCULAR DISORDER ONO PHARMACEUTICAL CO., LTD. (JP) 1999-10-05 US disclosed
US-5849919-A Fused benzeneoxyacetic acid derivatives which have PGI2 receptor anonist activity ONO PHARMACEUTICAL CO., LTD. (JP) 1998-12-15 US disclosed