SCHEMBL7576464

SCHEMBL7576464

O=C(CC1CCCCC1)Oc1cccc2c1Cc1ccccc1O2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
EPHX2 P34913 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
ACSL1 P33121 1/20 0.35
POLB P06746 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
METAP2 P50579 1/20 0.35
METAP1 P53582 1/20 0.35

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
SCHEMBL28671388 0.84 MAOA (0.46) MAOAMAOBACSL1
SCHEMBL28327108 0.81 MAOA (0.43) HPGDMAOAMAOBACSL1
SCHEMBL20136602 0.81 MAOA (0.40) L3MBTL1ALDH1A1MAOAMAOBACSL1
SCHEMBL28292834 0.80 MAOA (0.42) HPGDTDP1ALDH1A1MAOAMAOB
SCHEMBL28207675 0.80 MAOA (0.42) MAOAMAOBACSL1
SCHEMBL28681972 0.79 MAOA (0.41) MAOAMAOBACSL1
SCHEMBL7559262 0.79 LMNA (0.43) MAOAMAOBPOLB
SCHEMBL2715642 0.78 MAOA (0.48) HPGDL3MBTL1ALDH1A1MAPK1MAOA
SCHEMBL28612202 0.76 MAOA (0.38) MAOAMAOBACSL1
SCHEMBL411459 0.76 MAOA (0.46) HPGDL3MBTL1TDP1ALDH1A1MAPK1

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