SCHEMBL7558019

SCHEMBL7558019

CCCCC/C=C\C/C=C\CCCCCCCC(=O)Oc1cccc2c1Cc1ccccc1O2

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLM Q9NP87 2/20 0.52
POLK Q9UBT6 2/20 0.52
POLL Q9UGP5 2/20 0.52
POLH Q9Y253 2/20 0.52
HTR2A P28223 4/20 0.51
ELANE P08246 1/20 0.43
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
FAAH O00519 1/20 0.42
CNR1 P21554 1/20 0.42
EPHX2 P34913 1/20 0.42
CNR2 P34972 1/20 0.42
DUSP3 P51452 1/20 0.41
PTPN7 P35236 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
SCHEMBL4272137 0.92 POLM (0.48) POLMPOLKPOLLPOLHHTR2A
SCHEMBL7560337 0.92 POLM (0.48) POLMPOLKPOLLPOLHHTR2A
SCHEMBL22264880 0.91 POLM (0.47) POLMPOLKPOLLPOLHHTR2A
SCHEMBL7559262 0.83 LMNA (0.43) POLMPOLKPOLLPOLHHTR2A
SCHEMBL30666136 0.79 POLM (0.67) POLMPOLKPOLLPOLHHTR2A
SCHEMBL16800411 0.75 KDM4E (0.71) POLMPOLKPOLLPOLHHTR2A
SCHEMBL17369041 0.75 KDM4E (0.71) POLMPOLKPOLLPOLHHTR2A
SCHEMBL20739827 0.74 POLM (0.62) POLMPOLKPOLLPOLHHTR2A
SCHEMBL22261900 0.74 POLM (0.62) POLMPOLKPOLLPOLHHTR2A
SCHEMBL26090058 0.74 POLM (0.62) POLMPOLKPOLLPOLHHTR2A

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-0787005-B1 DERMATOLOGICAL COMPOSITIONS CONTAINING BENZOYL PEROXIDE AND A COMPOUND REDUCING SKIN IRRITATION HERMAL KURT HERRMAN GMBH (DE) 2002-03-27 EP disclosed
US-5932228-A ADMINISTERING BENZOYL PEROXIDE AND COMPOUND THAT REDUCES SKIN IRRITATION THE PROCTER & GAMBLE COMPANY (US) 1999-08-03 US disclosed
US-5545407-A ANTIACNE AGENTS THE PROCTER & GAMBLE COMPANY (US) 1996-08-13 US disclosed
US-5445823-A Benzoyl peroxide and a compound for reducing skin irritation associated with it THE PROCTER & GAMBLE COMPANY (US) 1995-08-29 US disclosed