SCHEMBL6999022

SCHEMBL6999022

CSc1ccc(C2=CC(=O)C(C)(C)O2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.41
PTGS1 P23219 2/20 0.38
HPGD P15428 3/20 0.35
KDM4E B2RXH2 2/20 0.35
AR P10275 1/20 0.35
ALDH1A1 P00352 6/20 0.35
MAPT P10636 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
DRD2 P14416 1/20 0.34
HTT P42858 1/20 0.34
POLB P06746 1/20 0.34
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL6994616 0.81 SIGMAR1 (0.46) PTGS2PTGS1HPGDKDM4EALDH1A1
SCHEMBL12169135 0.80 SIGMAR1 (0.37) PTGS2HPGDKDM4EALDH1A1MAPT
SCHEMBL6995128 0.79 PTGS2 (0.38) PTGS2PTGS1HPGDKDM4EALDH1A1
SCHEMBL1419929 0.79 ALDH1A1 (0.49) PTGS2PTGS1HPGDKDM4EALDH1A1
SCHEMBL7897120 0.79 SIGMAR1 (0.36) HPGDKDM4EARALDH1A1MAPT
SCHEMBL9875527 0.78 SIGMAR1 (0.51) HPGDKDM4EALDH1A1MAPTGAA
SCHEMBL6993536 0.78 SIGMAR1 (0.49) PTGS2HPGDALDH1A1RAB9ASMN1; SMN2
SCHEMBL7002291 0.76 SIGMAR1 (0.48) PTGS2HPGDALDH1A1RAB9ASMN1; SMN2
SCHEMBL28286352 0.76
SCHEMBL286520 0.76 HPGD (0.55) HPGDKDM4EALDH1A1MAPTGLA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1166658-C 4,5 diaryl-3 (2H) -furanone derivatives as cyclooxygenase-2 inhibitors ��ʽ����̫ƽ�� 2004-09-15 CN disclosed
EP-1109799-B1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-12-17 EP disclosed
US-6492416-B1 TREATING INFLAMMATION AND ASSOCIATED DISORDERS PACIFIC CORPORATION (KR) 2002-12-10 US disclosed
CN-1348447-A 4,5 diaryl-3 (2H) -furanone derivatives as cyclooxygenase-2 inhibitors PACIFIC CORP (KR) 2002-05-08 CN disclosed
EP-1109799-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2001-06-27 EP disclosed
WO-2000061571-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2000-10-19 WO disclosed