SCHEMBL4022680

SCHEMBL4022680

COc1c2ccccc2c(OC)c2cc(S(=O)(=O)OS(=O)(=O)c3ccc(C)cc3)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TUBB4A P04350 2/20 0.43
TUBB P07437 2/20 0.43
TUBA3C P0DPH7 2/20 0.43
TUBA1B P68363 2/20 0.43
TUBA4A P68366 2/20 0.43
TUBB4B P68371 2/20 0.43
TUBB3 Q13509 2/20 0.43
TUBB2A Q13885 2/20 0.43
TUBB8 Q3ZCM7 2/20 0.43
TUBA3E Q6PEY2 2/20 0.43
TUBA1A Q71U36 2/20 0.43
TUBA1C Q9BQE3 2/20 0.43
TUBB6 Q9BUF5 2/20 0.43
TUBB2B Q9BVA1 2/20 0.43
TUBB1 Q9H4B7 2/20 0.43
VDR P11473 1/20 0.40

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
SCHEMBL30043755 0.83 SMN1; SMN2 (0.52) SMN1; SMN2MAPK1KDM4EALDH1A1TUBB4A
SCHEMBL600822 0.83 SMN1; SMN2 (0.52) SMN1; SMN2MAPK1KDM4EALDH1A1TUBB4A
SCHEMBL4022678 0.82 SMN1; SMN2 (0.44) SMN1; SMN2MAPK1KDM4EALDH1A1TUBB4A
SCHEMBL3838573 0.80 SMN1; SMN2 (0.48) SMN1; SMN2MAPK1KDM4EALDH1A1TUBB4A
SCHEMBL4617722 0.77 ALDH1A1 (0.44) SMN1; SMN2MAPK1KDM4EALDH1A1TUBB4A
SCHEMBL29868203 0.76 ALDH1A1 (0.52) SMN1; SMN2MAPK1KDM4EALDH1A1TUBB4A
SCHEMBL2858129 0.76 KDM4E (0.52) SMN1; SMN2MAPK1KDM4EALDH1A1TUBB4A
SCHEMBL8588357 0.76 ALDH1A1 (0.52) SMN1; SMN2MAPK1KDM4EALDH1A1TUBB4A
SCHEMBL601324 0.76 ALDH1A1 (0.52) SMN1; SMN2MAPK1KDM4EALDH1A1TUBB4A
SCHEMBL29432545 0.76 ALDH1A1 (0.52) SMN1; SMN2MAPK1KDM4EALDH1A1TUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090191476-A1 THERMOPLASTIC MATERIALS COMPRISING CHARGE TRANSFER AGENTS AND PHOTO ACID GENERATING AGENTS PROCTER & GAMBLE COMPANY, THE 2009-07-30 US claimed
WO-2009093192-A1 THERMOPLASTIC MATERIALS COMPRISING CHARGE TRANSFER AGENTS AND PHOTO ACID GENERATING AGENTS THE PROCTER & GAMBLE COMPANY (US) 2009-07-30 WO claimed
EP-2083324-A1 Thermoplastic materials comprising charge transfer agents and photo acid generating agents The Procter and Gamble Company (US) 2009-07-29 EP claimed
US-20090191476-A1 THERMOPLASTIC MATERIALS COMPRISING CHARGE TRANSFER AGENTS AND PHOTO ACID GENERATING AGENTS PROCTER & GAMBLE COMPANY, THE 2009-07-30 US disclosed
EP-2083324-A1 Thermoplastic materials comprising charge transfer agents and photo acid generating agents The Procter and Gamble Company (US) 2009-07-29 EP disclosed