SCHEMBL6997299

SCHEMBL6997299

CSc1ccc(C2=C(Br)C(=O)C3(CCCC3)O2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
PTGS2 P35354 8/20 0.36
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
PTGS1 P23219 3/20 0.35
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
NISCH Q9Y2I1 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL7005795 0.79 PTGS2 (0.39) RAB9APTGS2PTGS1ALDH1A1SMN1; SMN2
SCHEMBL7001813 0.79 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL6994135 0.78 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL3333548 0.78 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2LMNAKDM4EMAPT
SCHEMBL16263830 0.71 KDM4E (0.40) ALDH1A1LMNAKDM4EHPGD
SCHEMBL6993536 0.71 SIGMAR1 (0.49) RAB9ANPC1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL7002291 0.70 SIGMAR1 (0.48) RAB9ANPC1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL6997064 0.67 PTGS2 (0.54) RAB9APTGS2PTGS1ALDH1A1SMN1; SMN2
SCHEMBL6997168 0.64 PTGS2 (0.54) RAB9APTGS2PTGS1ALDH1A1SMN1; SMN2
SCHEMBL14317670 0.62 SLC6A4 (0.54) RAB9ANPC1SLC6A4SLC6A3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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