SCHEMBL6972161

SCHEMBL6972161

Cc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)oc3ccccc3c2=O)c(C)c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.58
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
RET P07949 1/20 0.48
TSHR P16473 1/20 0.48
ALOX12 P18054 1/20 0.48
KDR P35968 1/20 0.48
HTT P42858 1/20 0.48
NTRK1 P04629 1/20 0.46
PLK3 Q9H4B4 1/20 0.46
PTGS1 P23219 2/20 0.45
PLA2G2A P14555 1/20 0.44
PLA2G4A P47712 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
SCHEMBL6976487 0.89 PTGS2 (0.62) PTGS2LMNATP53RETTSHR
SCHEMBL6973940 0.86 PTGS2 (0.69) PTGS2LMNATP53RETTSHR
SCHEMBL6981367 0.84 PTGS2 (0.60) PTGS2LMNATP53RETTSHR
SCHEMBL6974299 0.82 PTGS2 (0.67) PTGS2NTRK1PLK3PTGS1
SCHEMBL6976428 0.81 PTGS2 (0.57) PTGS2RETNTRK1PLK3PTGS1
SCHEMBL6974845 0.81 PTGS2 (0.72) PTGS2LMNATP53PTGS1PLA2G2A
SCHEMBL6976350 0.81 PTGS2 (0.61) PTGS2RETNTRK1PLK3PTGS1
SCHEMBL6976311 0.81 PTGS2 (0.61) PTGS2LMNATP53RETTSHR
SCHEMBL6980060 0.81 PTGS2 (0.61) PTGS2LMNATP53RETTSHR
SCHEMBL6972243 0.81 PTGS2 (0.68) 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 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