SCHEMBL7002291

SCHEMBL7002291

CSc1ccc(C2=CC(=O)C3(CCCCC3)O2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.48
DRD2 P14416 4/20 0.48
ALDH1A1 P00352 6/20 0.44
HPGD P15428 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTT P42858 1/20 0.42
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PTGS2 P35354 1/20 0.36

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
SCHEMBL6993536 0.98 SIGMAR1 (0.49) SIGMAR1DRD2ALDH1A1HPGDTDP1
SCHEMBL7000220 0.87 SIGMAR1 (0.47) SIGMAR1DRD2ALDH1A1HPGDTDP1
SCHEMBL7000663 0.78 SIGMAR1 (0.47) SIGMAR1DRD2ALDH1A1HPGDTDP1
SCHEMBL6999022 0.76 PTGS2 (0.41) SIGMAR1DRD2ALDH1A1HPGDTDP1
SCHEMBL1420368 0.75 SIGMAR1 (0.51) SIGMAR1DRD2ALDH1A1HPGDTDP1
SCHEMBL6995128 0.73 PTGS2 (0.38) SIGMAR1DRD2ALDH1A1HPGDHTT
SCHEMBL6994616 0.72 SIGMAR1 (0.46) SIGMAR1DRD2ALDH1A1HPGDHTT
SCHEMBL6997299 0.70 RAB9A (0.36) ALDH1A1HPGDSMN1; SMN2LMNAMAPK1
SCHEMBL3609434 0.69 SIGMAR1 (0.46) SIGMAR1DRD2ALDH1A1HPGDGRIN2D
SCHEMBL16263834 0.69 KDM4E (0.36) SIGMAR1DRD2ALDH1A1HPGDTDP1

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