SCHEMBL7003183

SCHEMBL7003183

OB(O)c1ccccc1-c1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.46
PDK2 Q15119 1/20 0.43
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TAAR1 Q96RJ0 2/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41

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
SCHEMBL31601135 1.00 ESR2 (0.46) ESR2PDK2LMNATP53MAPT
SCHEMBL29928761 0.82 MGLL (0.53) LMNAMAPTSMN1; SMN2HTTNPSR1
SCHEMBL5124813 0.82 MGLL (0.53) LMNAMAPTSMN1; SMN2HTTNPSR1
SCHEMBL29825499 0.82 MGLL (0.53) LMNAMAPTSMN1; SMN2HTTNPSR1
SCHEMBL6379712 0.81 HSD17B1 (0.48) ESR2LMNAHSD17B1HSD17B2
SCHEMBL2932780 0.81 CNR2 (0.44) PDK2MAPTNFKB1NFKB2RELA
SCHEMBL29956783 0.81 CNR2 (0.44) PDK2MAPTNFKB1NFKB2RELA
SCHEMBL3318477 0.80 SLC6A4 (0.47) PDK2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL24795391 0.79 ENPP2 (0.46) ESR2PDK2TP53NFKB1NFKB2
SCHEMBL4941911 0.79 MAOA (0.50) LMNAMAPTKDM4EHPGDCHRM3

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