SCHEMBL10557145

SCHEMBL10557145

Cc1ccc(S(=O)(=O)OCCCc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.46
FDFT1 P37268 2/20 0.44
CYP24A1 Q07973 1/20 0.43
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
PARL Q9H300 1/20 0.41
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41
PSMD10 O75832 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
SCHEMBL9144282 0.95 FKBP1A (0.44) CNR2FDFT1CYP24A1PTGESALOX5
SCHEMBL7028389 0.91 CNR2 (0.50) CNR2CYP24A1PSMD10
SCHEMBL18934371 0.90 ALDH1A1 (0.47) CNR2FDFT1PSMD10
SCHEMBL2567795 0.90 ALDH1A1 (0.47) CNR2FDFT1PSMD10
SCHEMBL2310681 0.87 FKBP1A (0.51) CNR2CYP24A1
SCHEMBL8484841 0.86 FKBP1A (0.50) CNR2CYP24A1
SCHEMBL8483790 0.86 FKBP1A (0.50) CNR2CYP24A1
SCHEMBL7459364 0.86 FKBP1A (0.50) CNR2CYP24A1
SCHEMBL10375119 0.86 FKBP1A (0.50) CNR2CYP24A1
SCHEMBL6586284 0.86 FKBP1A (0.50) CNR2CYP24A1

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
US-4880800-A PROSTAGLANDIN DERIVATIVES FOR ANTICOAGULANTS, VASODILATION, BRONCHODILATION GLAXO GROUP LIMITED (GB) 1989-11-14 US disclosed
US-4342756-A AS ANTITHROMBOTIC AGENTS AND ANTIASTHMATIC AGENTS GLAXO GROUP LIMITED (GB) 1982-08-03 US disclosed