SCHEMBL7560337

SCHEMBL7560337

CCCCCCCCCCCCCCCCCC(=O)Oc1cccc2c1Cc1ccccc1O2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLM Q9NP87 2/20 0.48
POLK Q9UBT6 2/20 0.48
POLL Q9UGP5 2/20 0.48
POLH Q9Y253 2/20 0.48
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
KDM4E B2RXH2 1/20 0.46
RECQL P46063 1/20 0.46
HTR2A P28223 4/20 0.43
DRD1 P21728 3/20 0.43
PPARG P37231 1/20 0.41
ALOX15 P16050 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
DRD2 P14416 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
FPR1 P21462 1/20 0.38
PTPN1 P18031 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
SCHEMBL4272137 1.00 POLM (0.48) POLMPOLKPOLLPOLHKMT2A
SCHEMBL22264880 0.99 POLM (0.47) POLMPOLKPOLLPOLHKMT2A
SCHEMBL28327108 0.93 MAOA (0.43) POLMPOLKPOLLPOLHKMT2A
SCHEMBL7558019 0.92 POLM (0.52) POLMPOLKPOLLPOLHHTR2A
SCHEMBL7559262 0.90 LMNA (0.43) POLMPOLKPOLLPOLHKMT2A
SCHEMBL28671388 0.87 MAOA (0.46) KMT2AMEN1KDM4ERECQL
SCHEMBL28207675 0.86 MAOA (0.42) KMT2AMEN1KDM4ERECQLHTR2A
SCHEMBL28681972 0.83 MAOA (0.41) KMT2AMEN1KDM4ERECQL
SCHEMBL28292834 0.81 MAOA (0.42) KMT2AMEN1KDM4ERECQLHTR2A
SCHEMBL2715642 0.79 MAOA (0.48) KDM4EALDH1A1MAPK1

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-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
EP-0787005-A2 DERMATOLOGICAL COMPOSITIONS CONTAINING BENZOYL PEROXIDE AND A COMPOUND REDUCING SKIN IRRITATION THE PROCTER & GAMBLE COMPANY (US) 1997-08-06 EP disclosed
US-5545407-A ANTIACNE AGENTS THE PROCTER & GAMBLE COMPANY (US) 1996-08-13 US disclosed
WO-1996012498-A2 DERMATOLOGICAL COMPOSITIONS CONTAINING BENZOYL PEROXIDE AND A COMPOUND REDUCING SKIN IRRITATION THE PROCTER & GAMBLE COMPANY (US) 1996-05-02 WO 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