SCHEMBL6978875

SCHEMBL6978875

CS(=O)(=O)c1ccc(-c2oc3ccccc3c(=O)c2-c2ccc(O)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.67
CYP3A4 P08684 3/20 0.59
MEN1 O00255 2/20 0.59
ALOX15 P16050 2/20 0.59
MAPK1 P28482 2/20 0.59
KMT2A Q03164 2/20 0.59
ALDH1A1 P00352 2/20 0.59
HSD17B10 Q99714 2/20 0.59
USP2 O75604 1/20 0.59
HPGD P15428 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
FTO Q9C0B1 1/20 0.59
MAPK14 Q16539 2/20 0.52
PTGS1 P23219 2/20 0.51
PLA2G2A P14555 1/20 0.51
PLA2G4A P47712 1/20 0.51
LMNA P02545 2/20 0.50
TP53 P04637 2/20 0.50
RET P07949 1/20 0.50
TSHR P16473 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
SCHEMBL6974845 0.91 PTGS2 (0.72) PTGS2CYP3A4MEN1ALOX15MAPK1
SCHEMBL6973940 0.89 PTGS2 (0.69) PTGS2ALDH1A1HPGDSMN1; SMN2MAPK14
SCHEMBL6977093 0.89 PTGS2 (0.85) PTGS2MAPK14PTGS1PLA2G2APLA2G4A
SCHEMBL6970224 0.88 PTGS2 (0.67) PTGS2MEN1KMT2AMAPK14PTGS1
SCHEMBL6979358 0.88 PTGS2 (0.67) PTGS2ALDH1A1MAPK14PTGS1PLA2G2A
SCHEMBL6975340 0.87 PTGS2 (0.63) PTGS2CYP3A4MEN1ALOX15MAPK1
SCHEMBL6973317 0.87 PTGS2 (0.63) PTGS2CYP3A4MEN1ALOX15MAPK1
SCHEMBL6978790 0.87 PTGS2 (0.63) PTGS2CYP3A4MEN1ALOX15MAPK1
SCHEMBL6979278 0.86 MAPK14 (0.71) PTGS2MAPK14PTGS1PLA2G2APLA2G4A
SCHEMBL6976272 0.85 PTGS2 (0.65) PTGS2MAPK14PTGS1PLA2G2APLA2G4A

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
CN-1323301-A Diarylbenzopyran derivatives as cyclooxygenase-2 inhibitors PACIFIC CORP (KR) 2001-11-21 CN 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
CN-1323301-A Diarylbenzopyran derivatives as cyclooxygenase-2 inhibitors PACIFIC CORP (KR) 2001-11-21 CN 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