SCHEMBL10375119

SCHEMBL10375119

Cc1ccc(S(=O)(=O)OCCCCCCCCCCCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.50
CNR2 P34972 3/20 0.48
ALDH1A1 P00352 1/20 0.45
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
CA12 O43570 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
ATM Q13315 1/20 0.44
CA9 Q16790 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP24A1 Q07973 1/20 0.44
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL8484841 1.00 FKBP1A (0.50) FKBP1ACNR2ALDH1A1BCHEACHE
SCHEMBL8483547 1.00 FKBP1A (0.50) FKBP1ACNR2ALDH1A1BCHEACHE
SCHEMBL7459364 1.00 FKBP1A (0.50) FKBP1ACNR2ALDH1A1BCHEACHE
SCHEMBL8483790 1.00 FKBP1A (0.50) FKBP1ACNR2ALDH1A1BCHEACHE
SCHEMBL6586284 1.00 FKBP1A (0.50) FKBP1ACNR2ALDH1A1BCHEACHE
SCHEMBL8484444 1.00 FKBP1A (0.50) FKBP1ACNR2ALDH1A1BCHEACHE
SCHEMBL2310681 0.98 FKBP1A (0.51) FKBP1ACNR2ALDH1A1BCHEACHE
SCHEMBL7028389 0.94 CNR2 (0.50) FKBP1ACNR2ALDH1A1BCHEACHE
SCHEMBL9144282 0.92 FKBP1A (0.44) FKBP1ACNR2CYP24A1
SCHEMBL7402194 0.89 MGLL (0.56) CNR2BCHECA12CA9L3MBTL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0201823-B1 NOVEL INTERMEDIATES FOR THE PRODUCTION OF PHARMACEUTICALS LILLY INDUSTRIES LIMITED (GB) 1990-12-05 EP disclosed
US-RE33300-E LEUKOTRIENE ANTAGONISTS; ANTIALLERGENS ELI LILLY AND COMPANY (US) 1990-08-14 US disclosed
EP-0134111-B1 ARALIPHATIC SULPHIDES,SULPHONES AND SULPHOXIDES AND THEIR PHARMACEUTICAL USE Lilly Industries Limited (GB) 1988-12-07 EP disclosed
US-4665189-A LEUKOTRIENE ANTAGONISTS LILLY INDUSTRIES LIMITED (GB) 1987-05-12 US disclosed
EP-0201823-A2 Novel intermediates for the production of pharmaceuticals LILLY INDUSTRIES LIMITED (GB) 1986-11-20 EP disclosed
EP-0134111-A1 Araliphatic sulphides,sulphones and sulphoxides and their pharmaceutical use Lilly Industries Limited (GB) 1985-03-13 EP disclosed