SCHEMBL7103549

SCHEMBL7103549

O=C(O)C1CC(C(F)(F)F)Oc2c(F)cccc21

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 2/20 0.35
CAT P04040 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.31
NR3C1 P04150 3/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HSPA1A P0DMV8 1/20 0.31
HSPA8 P11142 1/20 0.31
ALDH1A1 P00352 3/20 0.31
CYP19A1 P11511 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL7100107 0.82 MAPT (0.34) PTPN7MEN1KMT2AHSPA1AHSPA8
SCHEMBL7021904 0.80 CYP1A2 (0.38) MEN1KMT2AALDH1A1CYP19A1TSHR
SCHEMBL7019518 0.79 GRM2 (0.36) MEN1KMT2AALDH1A1POLB
SCHEMBL7101699 0.70 ACHE (0.35) MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL27818780 0.68 POLB (0.35) PTPN7CATMEN1KMT2AALDH1A1
SCHEMBL7103681 0.67 LMNA (0.35) ALDH1A1TSHR
SCHEMBL7018582 0.67 HCRTR2 (0.36) MEN1KMT2A
SCHEMBL7100609 0.66 CYP11B1 (0.31)
SCHEMBL9465746 0.65 ALDH1A1 (0.44) PTPN7TRPM8ALDH1A1POLB
SCHEMBL8815600 0.65 PTPN7 (0.38) PTPN7NR3C1CYP19A1POLB

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