SCHEMBL6980060

SCHEMBL6980060

CS(=O)(=O)c1ccc(-c2oc3ccccc3c(=O)c2-c2ccccc2O)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.61
NTRK1 P04629 1/20 0.52
PLK3 Q9H4B4 1/20 0.52
PTGS1 P23219 1/20 0.49
TP53 P04637 3/20 0.48
LMNA P02545 2/20 0.48
ALOX12 P18054 2/20 0.48
RET P07949 1/20 0.48
TSHR P16473 1/20 0.48
KDR P35968 1/20 0.48
HTT P42858 1/20 0.48
CYP3A4 P08684 5/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
HSD17B10 Q99714 4/20 0.47
ALDH1A1 P00352 3/20 0.47
ALOX15 P16050 3/20 0.47
MAPK1 P28482 3/20 0.47
HPGD P15428 2/20 0.47
USP2 O75604 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
SCHEMBL6976487 0.87 PTGS2 (0.62) PTGS2NTRK1PLK3PTGS1TP53
SCHEMBL6976311 0.86 PTGS2 (0.61) PTGS2NTRK1PLK3PTGS1TP53
SCHEMBL6972243 0.86 PTGS2 (0.68) PTGS2NTRK1PLK3PTGS1MAPK14
SCHEMBL6976350 0.86 PTGS2 (0.61) PTGS2NTRK1PLK3PTGS1RET
SCHEMBL6978875 0.85 PTGS2 (0.67) PTGS2PTGS1TP53LMNAALOX12
SCHEMBL6980745 0.85 PTGS2 (0.63) PTGS2NTRK1PLK3PTGS1TP53
SCHEMBL6974845 0.84 PTGS2 (0.72) PTGS2PTGS1TP53LMNACYP3A4
SCHEMBL6978342 0.83 PTGS2 (0.64) PTGS2NTRK1PLK3PTGS1MAPK14
SCHEMBL6979031 0.83 PTGS2 (0.61) PTGS2NTRK1PLK3PTGS1RET
SCHEMBL6973940 0.81 PTGS2 (0.69) PTGS2PTGS1TP53LMNAALOX12

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