SCHEMBL9853817

SCHEMBL9853817

CCOC(=O)Cc1ccc(Oc2cnccc2N)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.46
F2 P00734 1/20 0.43
CYP4Z1 Q86W10 1/20 0.40
PTGS1 P23219 2/20 0.39
PTGS2 P35354 2/20 0.39
CYP19A1 P11511 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LIPE Q05469 1/20 0.39
MAOB P27338 1/20 0.39
PPID Q08752 1/20 0.39
ICAM1 P05362 2/20 0.38
SELE P16581 2/20 0.38
VCAM1 P19320 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
Oxalic Acid SCHEMBL9853806 0.96 TBXAS1 (0.44) TBXAS1F2CYP4Z1PTGS1PTGS2
SCHEMBL9853803 0.81 LMNA (0.44) TBXAS1F2CYP4Z1PTGS1PTGS2
SCHEMBL9853800 0.77 MAPT (0.50) PTGS1PTGS2SMN1; SMN2MAPTMEN1
SCHEMBL7054411 0.75 TEAD4 (0.47) PTGS1PTGS2ICAM1SELEVCAM1
SCHEMBL304656 0.74 CYP19A1 (0.63) TBXAS1CYP4Z1CYP19A1PPIDMAPT
SCHEMBL14676699 0.74 TBXAS1 (0.48) TBXAS1CYP4Z1SMN1; SMN2LIPEMAOB
SCHEMBL9333883 0.74 MAPT (0.45) TBXAS1CYP4Z1PTGS1PTGS2SMN1; SMN2
SCHEMBL9853812 0.74 PTGS1 (0.36) PTGS1PTGS2ICAM1SELEMAPT
SCHEMBL5894021 0.73 AOC1 (0.47) TBXAS1SMN1; SMN2PPIDMAPTMEN1
SCHEMBL68851 0.72 CYP4Z1 (0.62) TBXAS1CYP4Z1SMN1; SMN2LIPEMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0405487-A1 Phenoxypyridinamines and related compounds, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-01-02 EP claimed
US-4959377-A Phenoxypyridinamine compounds which are use as a dermatological composition HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-09-25 US claimed
EP-0405487-A1 Phenoxypyridinamines and related compounds, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-01-02 EP disclosed
US-4959377-A Phenoxypyridinamine compounds which are use as a dermatological composition HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-09-25 US disclosed