SCHEMBL7103681

SCHEMBL7103681

O=C(O)C1CC(C(F)(F)F)Oc2ccc(SC(F)(F)F)cc21

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
ALDH1A1 P00352 1/20 0.31
PTGS2 P35354 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30

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
SCHEMBL7018582 0.88 HCRTR2 (0.36) PTGDR2PTGS2
SCHEMBL7108605 0.78 PTGS2 (0.47) PTGS2
SCHEMBL7019518 0.77 GRM2 (0.36) ALDH1A1
SCHEMBL7100609 0.77 CYP11B1 (0.31) PTGS2
SCHEMBL7100181 0.74 PTGS1 (0.41) PTGDR2PTGS2
SCHEMBL7021505 0.73 LMNA (0.36) LMNAMAPTTSHRMAPK1HTT
SCHEMBL7101699 0.71 ACHE (0.35) LMNAPTGDR2ALDH1A1PTGS2PPARG
SCHEMBL7171935 0.71 SMN1; SMN2 (0.47) LMNATSHRMAPK1
SCHEMBL7022958 0.69 GAA (0.47) LMNAMAPTMAPK1HTTALDH1A1
SCHEMBL7174724 0.69 ALDH1A1 (0.49) LMNAMAPTHTTALDH1A1

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-1274700-A1 DIHYDROBENZOPYRANS, DIHYDROBENZOTHIOPYRANS, AND TETRAHYDROQUINOLINES FOR THE TREATMENT OF COX-2-MEDIATED DISORDERS Pharmacia Corporation (US) 2003-01-15 EP disclosed
WO-2001049675-A1 DIHYDROBENZOPYRANS, DIHYDROBENZOTHIOPYRANS, AND TETRAHYDROQUINOLINES FOR THE TREATMENT OF COX-2-MEDIATED DISORDERS PHARMACIA CORPORATION (US) 2001-07-12 WO disclosed