SCHEMBL6971109

SCHEMBL6971109

COc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)oc3ccccc3c2=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.65
ABCG2 Q9UNQ0 2/20 0.63
ALDH1A1 P00352 4/20 0.60
KDM4E B2RXH2 3/20 0.60
CYP3A4 P08684 1/20 0.60
HSD17B10 Q99714 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
MAPT P10636 1/20 0.56
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
CYP2C19 P33261 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MAOB P27338 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL6971778 0.89 PTGS2 (0.63) PTGS2ABCG2ALDH1A1KDM4ECYP3A4
SCHEMBL6974845 0.89 PTGS2 (0.72) PTGS2ABCG2KDM4ECYP3A4CA1
SCHEMBL6972141 0.89 PTGS2 (0.60) PTGS2ABCG2ALDH1A1KDM4ECYP3A4
SCHEMBL6976783 0.87 PTGS2 (0.60) PTGS2ABCG2ALDH1A1KDM4ECYP3A4
SCHEMBL6973940 0.86 PTGS2 (0.69) PTGS2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL6977093 0.86 PTGS2 (0.85) PTGS2
SCHEMBL6980206 0.86 PTGS2 (0.63) PTGS2ABCG2ALDH1A1KDM4ECYP3A4
SCHEMBL6978875 0.85 PTGS2 (0.67) PTGS2ALDH1A1KDM4ECYP3A4HSD17B10
SCHEMBL6970224 0.85 PTGS2 (0.67) PTGS2MEN1KMT2A
SCHEMBL6979358 0.85 PTGS2 (0.67) PTGS2ALDH1A1CA1CA2

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