SCHEMBL6994618

SCHEMBL6994618

CCC1(C)OC(c2ccccc2SC)=CC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.41
KDM4E B2RXH2 7/20 0.37
LMNA P02545 3/20 0.37
RXFP1 Q9HBX9 3/20 0.37
ALDH1A1 P00352 5/20 0.36
HTT P42858 2/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HCAR3 P49019 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
RAB9A P51151 3/20 0.33
HPGD P15428 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
NPC1 O15118 2/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 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 0.74 SIGMAR1 (0.46) SIGMAR1KDM4EALDH1A1HTTGLA
SCHEMBL27548530 0.64 SIGMAR1 (0.45) SIGMAR1MAPT
SCHEMBL27484472 0.64 SIGMAR1 (0.45) SIGMAR1MAPT
SCHEMBL5890646 0.63 KDM4E (0.52) KDM4ELMNARXFP1ALDH1A1HTT
SCHEMBL31087243 0.63 KDM4E (0.52) KDM4ELMNARXFP1ALDH1A1HTT
SCHEMBL6428849 0.63 SMN1; SMN2 (0.49) SIGMAR1LMNAALDH1A1HTTGAA
SCHEMBL24042759 0.62 KDM4E (0.44) KDM4ELMNARXFP1ALDH1A1HTT
SCHEMBL19240125 0.62 KDM4E (0.41) KDM4ELMNARXFP1ALDH1A1HTT
SCHEMBL28420767 0.57 NPSR1 (0.37) KDM4ELMNAALDH1A1HTTHPGD
SCHEMBL28421057 0.57 PDK2 (0.38) KDM4EALDH1A1HTTGAARAB9A

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 2 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