SCHEMBL7561920

SCHEMBL7561920

CC(C)C(=O)Oc1cccc2c1Cc1ccccc1O2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ELANE P08246 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
ACSL1 P33121 1/20 0.34
P2RX4 Q99571 2/20 0.34
ALOX15 P16050 1/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL20819814 0.91 MAOA (0.41) MAOAMAOBKMT2AMEN1GABRA1
SCHEMBL28671388 0.85 MAOA (0.46) MAOAMAOBKMT2AMEN1NPSR1
SCHEMBL411459 0.85 MAOA (0.46) MAOAMAOBACSL1
SCHEMBL2715642 0.84 MAOA (0.48) MAOAMAOBNPSR1ACSL1MTNR1A
SCHEMBL28207675 0.84 MAOA (0.42) MAOAMAOBKMT2AMEN1ELANE
SCHEMBL7559262 0.83 LMNA (0.43) MAOAMAOBKMT2AMEN1ALOX15
Acetic Acid SCHEMBL1060685 0.82 MAOA (0.43) MAOAMAOBACSL1
SCHEMBL412590 0.82 MAOA (0.43) MAOAMAOBACSL1MTNR1AMAPKAPK2
SCHEMBL28327108 0.82 MAOA (0.43) MAOAMAOBKMT2AMEN1ACSL1
SCHEMBL28612202 0.82 MAOA (0.38) MAOAMAOBACSL1MAPKAPK2

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