SCHEMBL6993366

SCHEMBL6993366

CSc1ccc(C2=C(c3cccc(C(F)(F)F)c3)C(=O)C(C)(C)O2)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NOTUM Q6P988 1/20 0.33
CTSD P07339 1/20 0.33
BACE1 P56817 1/20 0.33
BRD4 O60885 1/20 0.33
NR1H4 Q96RI1 1/20 0.32
HCAR3 P49019 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
SLC2A1 P11166 1/20 0.32
SLC11A2 P49281 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
SCHEMBL6994889 0.89 PGR (0.35) PGRNOTUMCTSDBACE1BRD4
SCHEMBL6999681 0.88 PTGS2 (0.37) PGRNOTUMCTSDBACE1BRD4
SCHEMBL6999756 0.87 PTGS2 (0.42) PGR
SCHEMBL7001916 0.85 PTGS2 (0.38)
SCHEMBL6995349 0.85 PGR (0.40) PGRMEN1KMT2A
SCHEMBL6997650 0.84 PTGS2 (0.38) PGRNOTUMCTSDBACE1BRD4
SCHEMBL7001146 0.84 PTGS2 (0.38) PGRMEN1KMT2ACTSDBACE1
SCHEMBL7001554 0.83 PTGES2 (0.39) PGRKDM4ECTSDBACE1BRD4
SCHEMBL6994061 0.82 PGR (0.33) PGRKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL6999522 0.82 PGR (0.33) PGR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1109799-B1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-12-17 EP claimed
US-6492416-B1 TREATING INFLAMMATION AND ASSOCIATED DISORDERS PACIFIC CORPORATION (KR) 2002-12-10 US claimed
EP-1109799-B1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-12-17 EP disclosed
US-6492416-B1 TREATING INFLAMMATION AND ASSOCIATED DISORDERS PACIFIC CORPORATION (KR) 2002-12-10 US disclosed