SCHEMBL8414294

SCHEMBL8414294

CC1CCCc2c(OC(C(=O)O)n3cc(Cc4ccccc4-c4cccc(Cl)c4)cn3)cccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.36
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
ALPG P10696 1/20 0.36
RIN1 Q13671 1/20 0.36
PTGIR P43119 3/20 0.35
CHRM1 P11229 4/20 0.34
PTGDR Q13258 1/20 0.34
CHRM3 P20309 4/20 0.33
CD274 Q9NZQ7 3/20 0.33
PTGER1 P34995 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33
HTR7 P34969 2/20 0.33
PDE4B Q07343 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 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
SCHEMBL8519368 0.85 ABL1 (0.33) ABL1ALPLALPIALPGRIN1
SCHEMBL8410501 0.83 PTGIR (0.35) ABL1ALPLALPIALPGRIN1
SCHEMBL8813614 0.66 PTGIR (0.43) PTGIRPTGDRPDE4B
SCHEMBL8811346 0.66 PTGIR (0.66) PTGIRPTGDR
SCHEMBL8812372 0.64 PTGIR (0.59) PTGIRPTGDRHTR7
SCHEMBL8520476 0.63 PTGIR (0.64) PTGIRPTGDR
Hydrochloric Acid SCHEMBL9353386 0.57 CARM1 (0.46) CHRM1CHRM3CD274PTGER1PTGER4
SCHEMBL9353270 0.57 CARM1 (0.46) CHRM1CHRM3PTGER1PTGER4PTGER3
Hydrochloric Acid SCHEMBL9352963 0.57 CARM1 (0.45) CHRM1CHRM3PTGER1PTGER4PTGER3
SCHEMBL9890642 0.56 CHRM1 (0.57) CHRM1CHRM3PTGER1PTGER4PTGER3

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