SCHEMBL9853812

SCHEMBL9853812

CCOC(=O)C(=O)OC(C(=O)O)c1ccc(Oc2cnccc2N)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 8/20 0.36
PTGS2 P35354 7/20 0.36
ICAM1 P05362 2/20 0.34
SELE P16581 2/20 0.34
GAA P10253 1/20 0.32
EGFR P00533 1/20 0.32
LCK P06239 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KDM6B O15054 1/20 0.32
KDM4A O75164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4D Q6B0I6 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ACACB O00763 2/20 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
SCHEMBL9853817 0.74 TBXAS1 (0.46) PTGS1PTGS2ICAM1SELEMEN1
Oxalic Acid SCHEMBL9853806 0.73 TBXAS1 (0.44) PTGS1PTGS2ICAM1SELEMAPT
SCHEMBL9853800 0.73 MAPT (0.50) PTGS1PTGS2KDM4EMEN1ALDH1A1
SCHEMBL7054411 0.69 TEAD4 (0.47) PTGS1PTGS2ICAM1SELEGAA
SCHEMBL9853810 0.66 PTGS1 (0.54) PTGS1PTGS2ICAM1SELEKDM4E
SCHEMBL4374807 0.66 PTGS1 (0.50) PTGS1PTGS2ICAM1SELEGAA
Hydrochloric Acid SCHEMBL9853816 0.65 PTGS1 (0.49) PTGS1PTGS2ICAM1SELEGAA
SCHEMBL4370679 0.63 PTGS1 (0.52) PTGS1PTGS2ICAM1SELEGAA
SCHEMBL4370948 0.63 PTGS1 (0.52) PTGS1PTGS2ICAM1SELEGAA
SCHEMBL9853814 0.62 KDM4C (0.39) ICAM1SELEGAAKDM4EMEN1

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
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