SCHEMBL6980745

SCHEMBL6980745

COc1ccccc1-c1c(-c2ccc(S(C)(=O)=O)cc2)oc2ccccc2c1=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.63
KDM4E B2RXH2 4/20 0.57
CYP3A4 P08684 4/20 0.57
HSD17B10 Q99714 4/20 0.57
ALDH1A1 P00352 3/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
HPGD P15428 2/20 0.57
CYP2C9 P11712 1/20 0.57
TSHR P16473 1/20 0.57
CYP2C19 P33261 1/20 0.57
NTRK1 P04629 1/20 0.54
PLK3 Q9H4B4 1/20 0.54
PTGS1 P23219 2/20 0.51
ABCG2 Q9UNQ0 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL6976710 0.90 PTGS2 (0.64) PTGS2KDM4ECYP3A4HSD17B10ALDH1A1
SCHEMBL6976487 0.86 PTGS2 (0.62) PTGS2KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL6976311 0.85 PTGS2 (0.61) PTGS2TSHRNTRK1PLK3PTGS1
SCHEMBL6980060 0.85 PTGS2 (0.61) PTGS2KDM4ECYP3A4HSD17B10ALDH1A1
SCHEMBL6972243 0.85 PTGS2 (0.68) PTGS2NTRK1PLK3PTGS1
SCHEMBL6976350 0.85 PTGS2 (0.61) PTGS2NTRK1PLK3PTGS1
SCHEMBL6971109 0.85 PTGS2 (0.65) PTGS2KDM4ECYP3A4HSD17B10ALDH1A1
SCHEMBL6974845 0.83 PTGS2 (0.72) PTGS2KDM4ECYP3A4MEN1KMT2A
SCHEMBL6978342 0.82 PTGS2 (0.64) PTGS2NTRK1PLK3PTGS1
SCHEMBL6979031 0.82 PTGS2 (0.61) PTGS2NTRK1PLK3PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1105384-B1 DIARYLBENZOPYRAN DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-03-26 EP claimed
US-6340694-B1 Diarylbenzopyran derivatives as cyclooxygenase-2 inhibitors PACIFIC CORPORATION (KR) 2002-01-22 US claimed
EP-1105384-A1 DIARYLBENZOPYRAN DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2001-06-13 EP claimed
WO-2000010993-A1 DIARYLBENZOPYRAN DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2000-03-02 WO claimed
EP-1105384-B1 DIARYLBENZOPYRAN DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-03-26 EP disclosed
US-6340694-B1 Diarylbenzopyran derivatives as cyclooxygenase-2 inhibitors PACIFIC CORPORATION (KR) 2002-01-22 US disclosed
EP-1105384-A1 DIARYLBENZOPYRAN DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2001-06-13 EP disclosed
WO-2000010993-A1 DIARYLBENZOPYRAN DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2000-03-02 WO disclosed