SCHEMBL7019518

SCHEMBL7019518

O=C(O)C1CC(C(F)(F)F)Oc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.36
GRM3 Q14832 2/20 0.36
CYP1A2 P05177 2/20 0.36
GRM8 O00222 2/20 0.36
GRM1 Q13255 2/20 0.36
GRM7 Q14831 2/20 0.36
GRM4 Q14833 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GRM5 P41594 1/20 0.36
ALDH1A1 P00352 1/20 0.35
EDNRA P25101 1/20 0.34
CYP2C9 P11712 2/20 0.33
POLB P06746 1/20 0.33
CASP6 P55212 1/20 0.33
ATM Q13315 1/20 0.33
RBP4 P02753 2/20 0.32
LTA4H P09960 1/20 0.32
ABCB1 P08183 2/20 0.32
HSD17B2 P37059 1/20 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
SCHEMBL7103549 0.79 PTPN7 (0.35) MEN1KMT2AALDH1A1POLB
SCHEMBL9818811 0.78 PPARG (0.38) GRM2GRM3ALDH1A1RBP4
SCHEMBL9818815 0.78 PPARG (0.38) GRM2GRM3ALDH1A1RBP4
SCHEMBL7101699 0.78 ACHE (0.35) MEN1KMT2AALDH1A1
SCHEMBL14635368 0.78 MAOA (0.37) GRM2GRM3CYP1A2GRM8GRM1
SCHEMBL7108605 0.77 PTGS2 (0.47)
SCHEMBL7103681 0.77 LMNA (0.35) ALDH1A1
SCHEMBL7018582 0.77 HCRTR2 (0.36) MEN1KMT2A
SCHEMBL9818841 0.76 POLB (0.42) GRM2GRM3CYP1A2GRM8GRM1
SCHEMBL9818844 0.76 POLB (0.42) GRM2GRM3CYP1A2GRM8GRM1

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 5 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 claimed
WO-2001049675-A1 DIHYDROBENZOPYRANS, DIHYDROBENZOTHIOPYRANS, AND TETRAHYDROQUINOLINES FOR THE TREATMENT OF COX-2-MEDIATED DISORDERS PHARMACIA CORPORATION (US) 2001-07-12 WO claimed
EP-4143187-B1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF HIF2-ALPHA AND THEIR METHODS OF USE NOVARTIS AG (CH) 2024-05-08 EP disclosed
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