SCHEMBL4637504

SCHEMBL4637504

O=C(c1ccc(F)cc1)c1ccc(Oc2c[c]cc(Cl)c2)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.39
PNLIP P16233 2/20 0.38
SCN9A Q15858 1/20 0.38
EPAS1 Q99814 1/20 0.38
PTGER4 P35408 2/20 0.37
SRD5A2 P31213 1/20 0.37
ESRRA P11474 1/20 0.37
TTR P02766 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PTGER2 P43116 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
LTA4H P09960 1/20 0.36

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
SCHEMBL586313 0.77 NR3C1 (0.47) SMN1; SMN2LMNAL3MBTL1EPAS1PTGER4
SCHEMBL365823 0.74 MRGPRX4 (0.55) SMN1; SMN2LMNAL3MBTL1MRGPRX4PNLIP
SCHEMBL28928700 0.72 HTR2A (0.40) L3MBTL1SCN9AKDM4E
SCHEMBL1651161 0.72 SRD5A2 (0.52) SMN1; SMN2LMNASRD5A2TTRKDM4E
SCHEMBL8612482 0.70 SRD5A2 (0.69) SMN1; SMN2LMNASRD5A2KDM4EHSD17B1
SCHEMBL370483 0.70 USP2 (0.49) SMN1; SMN2LMNAL3MBTL1PNLIPSCN9A
SCHEMBL5069651 0.69 LTA4H (0.53) SMN1; SMN2LMNATTRKDM4ELTA4H
SCHEMBL9777083 0.68 HPGD (0.59) SMN1; SMN2LMNAL3MBTL1SRD5A2LTA4H
SCHEMBL4637503 0.68 EPAS1 (0.49) SMN1; SMN2LMNAEPAS1
SCHEMBL27698516 0.67 ESRRA (0.53) SMN1; SMN2LMNAL3MBTL1PNLIPSCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937632-A1 NOVEL COMPOUNDS Astra Zeneca AB (SE) 2008-07-02 EP claimed
WO-2007039736-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2007-04-12 WO claimed
EP-1963259-A2 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE AstraZeneca AB (SE) 2008-09-03 EP disclosed
EP-1937632-A1 NOVEL COMPOUNDS Astra Zeneca AB (SE) 2008-07-02 EP disclosed
WO-2007068894-A2 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2007-06-21 WO disclosed
WO-2007039736-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2007-04-12 WO disclosed