SCHEMBL6976487

SCHEMBL6976487

Cc1ccccc1-c1c(-c2ccc(S(C)(=O)=O)cc2)oc2ccccc2c1=O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.62
NTRK1 P04629 1/20 0.53
PLK3 Q9H4B4 1/20 0.53
PTGS1 P23219 2/20 0.48
TP53 P04637 2/20 0.46
LMNA P02545 1/20 0.46
RET P07949 1/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
KDR P35968 1/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPK14 Q16539 1/20 0.45
PLA2G2A P14555 1/20 0.44
PLA2G4A P47712 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL6971198 0.89 PTGS2 (0.61) PTGS2NTRK1PLK3PTGS1TP53
SCHEMBL6972161 0.89 PTGS2 (0.58) PTGS2NTRK1PLK3PTGS1TP53
SCHEMBL6972243 0.87 PTGS2 (0.68) PTGS2NTRK1PLK3PTGS1MAPK14
SCHEMBL6976311 0.87 PTGS2 (0.61) PTGS2NTRK1PLK3PTGS1TP53
SCHEMBL6976350 0.87 PTGS2 (0.61) PTGS2NTRK1PLK3PTGS1RET
SCHEMBL6978726 0.87 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL6980060 0.87 PTGS2 (0.61) PTGS2NTRK1PLK3PTGS1TP53
SCHEMBL6980745 0.86 PTGS2 (0.63) PTGS2NTRK1PLK3PTGS1TP53
SCHEMBL6973940 0.85 PTGS2 (0.69) PTGS2PTGS1TP53LMNARET
SCHEMBL6974845 0.85 PTGS2 (0.72) PTGS2PTGS1TP53LMNAKDM4E

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 10 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-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
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