SCHEMBL8478786

SCHEMBL8478786

COCOc1ccc(F)c(F)c1-c1ccc(C(=O)O)c(CO)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.41
PPARD Q03181 1/20 0.41
EGFR P00533 1/20 0.40
XDH P47989 1/20 0.37
CTSA P10619 2/20 0.37
PTGS2 P35354 4/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
PTGS1 P23219 1/20 0.35
NEK2 P51955 1/20 0.35
RARG P13631 1/20 0.35
DCLRE1B Q9H816 1/20 0.35

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
SCHEMBL8481711 0.91 PDE4D (0.46) PDE4DPPARDEGFRXDHMRGPRX4
SCHEMBL8476993 0.85 EGFR (0.40) PDE4DPPARDEGFRXDHNEK2
SCHEMBL8479735 0.84 MRGPRX4 (0.41) PDE4DPPARDEGFRXDHMRGPRX4
SCHEMBL8480273 0.83 MRGPRX4 (0.41) PDE4DEGFRMRGPRX4RARG
SCHEMBL8482087 0.74 CTSA (0.45) PDE4DCTSADCLRE1B
SCHEMBL8478791 0.74 EGFR (0.36) EGFR
SCHEMBL8481030 0.73 LMNA (0.44) PDE4DPTGS2NEK2
SCHEMBL5988362 0.68 CNR2 (0.46) PDE4DEGFRXDHRARG
SCHEMBL2475768 0.68 FABP4 (0.41) EGFRXDHMRGPRX4
SCHEMBL13125274 0.68 LMNA (0.68) EGFRXDHMRGPRX4RARG

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-5914406-A ENZYME INHIBITOR; USEFUL FOR TREATMENT OF INFLAMMATORY SKIN DISORDERS AND ALOPECIA HOFFMAN-LA ROCHE INC. (US) 1999-06-22 US disclosed
US-5750706-A TREATMENT OF INFLAMMATORY SKIN DISORDERS AND ALOPECIA HOFFMANN-LA ROCHE INC. (US) 1998-05-12 US disclosed