SCHEMBL8595268

SCHEMBL8595268

CCCOCCC=C(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
SIGMAR1 Q99720 4/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
TBXAS1 P24557 8/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL1226216 0.81 SIGMAR1 (0.49) SIGMAR1MTNR1AMTNR1BTBXAS1CHRNB2
SCHEMBL6897257 0.77 SIGMAR1 (0.54) SIGMAR1MTNR1AMTNR1BTBXAS1ESR1
SCHEMBL9092744 0.76 SIGMAR1 (0.53) SIGMAR1MTNR1AMTNR1BTBXAS1CHRNB2
SCHEMBL8094515 0.76 SIGMAR1 (0.53) SIGMAR1TBXAS1ESR1ESR2
SCHEMBL251740 0.76 SIGMAR1 (0.44) SIGMAR1MTNR1AMTNR1BTBXAS1CHRNB2
SCHEMBL11792681 0.74 TBXAS1 (0.54) SIGMAR1TBXAS1ESR1ESR2
SCHEMBL11229130 0.74 TBXAS1 (0.54) SIGMAR1TBXAS1ESR1ESR2
SCHEMBL8418666 0.74 TBXAS1 (0.54) SIGMAR1TBXAS1ESR1ESR2
SCHEMBL9169660 0.74 TBXAS1 (0.54) SIGMAR1TBXAS1ESR1ESR2
SCHEMBL7861116 0.74 TBXAS1 (0.54) SIGMAR1TBXAS1ESR1ESR2

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-0646569-B1 Novel carboxylate derivatives exhibiting phospholipase A2 inhibitory activity SHIONOGI & CO (JP) 1998-01-07 EP disclosed
EP-0646569-A1 Novel carboxylate derivatives exhibiting phospholipase A2 inhibitory activity SHIONOGI & CO., LTD. (JP) 1995-04-05 EP disclosed