SCHEMBL7869796

SCHEMBL7869796

O=Cc1ccc(OC(F)F)c(OC(F)F)c1.OCc1ccc(OC(F)F)c(OC(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 3/20 0.46
PDE4A P27815 5/20 0.43
PDE4B Q07343 4/20 0.40
ALDH1A1 P00352 4/20 0.40
PDE4C Q08493 3/20 0.40
PDE4D Q08499 3/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
FDPS P14324 1/20 0.39
TACR2 P21452 1/20 0.37
AOX1 Q06278 1/20 0.37
TRIM24 O15164 1/20 0.37
HPGD P15428 1/20 0.37
ALDH5A1 P51649 1/20 0.37
ABAT P80404 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37

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
SCHEMBL29440132 0.86 DRD1 (0.53) DRD1PDE4APDE4BALDH1A1PDE4C
SCHEMBL140841 0.86 DRD1 (0.53) DRD1PDE4APDE4BALDH1A1PDE4C
SCHEMBL7418541 0.86 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DCYP4F2
SCHEMBL7538876 0.78 ALDH1A1 (0.49) DRD1PDE4APDE4BALDH1A1PDE4C
SCHEMBL140472 0.76 ALDH1A1 (0.70) DRD1PDE4BALDH1A1TSHRKDM4E
SCHEMBL1966450 0.76 ALDH1A1 (0.70) DRD1PDE4APDE4BALDH1A1PDE4C
SCHEMBL31681723 0.76 CA2 (0.48) PDE4AALDH1A1TSHRKDM4EHTT
SCHEMBL5026284 0.76 CA2 (0.48) PDE4AALDH1A1TSHRKDM4EHTT
SCHEMBL5184347 0.76 PDE4A (0.43) DRD1PDE4APDE4BALDH1A1PDE4C
SCHEMBL31619160 0.76 ALDH1A1 (0.58) DRD1PDE4BALDH1A1TSHRKDM4E

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-0636025-B1 COMPOUNDS USEFUL FOR TREATING ALLERGIC OR INFLAMMATORY DISEASES SMITHKLINE BEECHAM CORP (US) 2001-07-18 EP disclosed
US-5811455-A Compounds useful for treating allergic or inflammatory diseases SMITHKLINE BEECHAM CORPORATION (US) 1998-09-22 US disclosed