SCHEMBL7555796

SCHEMBL7555796

CC(=O)OC1c2ccccc2Oc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.50
POLB P06746 1/20 0.50
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
CYP2C9 P11712 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
USP2 O75604 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47

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
SCHEMBL11728499 0.88 HTR2A (0.50) ATMPOLBCYP2C9CYP1A2CYP2C19
SCHEMBL11491281 0.87 KMT2A (0.44) ATMPOLBMAOAMAOBCYP2C9
SCHEMBL31560154 0.83 PKM (0.46) ATMPOLBCYP2C9CYP1A2CYP2C19
SCHEMBL5731331 0.83 ATM (0.52) ATMMAOAMAOBCYP2C9CYP1A2
SCHEMBL5730818 0.82 L3MBTL1 (0.50) ATMMAOAMAOBCYP2C9KMT2A
SCHEMBL7837312 0.81 ATM (0.50) ATMMAOAMAOBCYP2C9CYP1A2
SCHEMBL7561924 0.81 TSHR (0.47) ATMPOLBMAOAMAOBCYP2C9
SCHEMBL11728672 0.81 HDAC3 (0.47) ATMPOLBMAOAMAOBCYP2C9
SCHEMBL27773729 0.79 CYP2C9 (0.47) ATMMAOAMAOBCYP2C9CYP1A2
SCHEMBL30341829 0.79 POLB (0.71) POLBCYP1A2KMT2AMEN1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103642470-A Preparation and using methods of diluent for oil-based drilling fluid CNPC BOHAI DRILLING ENG CO LTD 2014-03-19 CN disclosed
CN-101171248-A 3-mono- and 3,5-disubstituted piperidine derivatives as renin inhibitors NOVARTIS AG (CH) 2008-04-30 CN disclosed
EP-0787005-B1 DERMATOLOGICAL COMPOSITIONS CONTAINING BENZOYL PEROXIDE AND A COMPOUND REDUCING SKIN IRRITATION HERMAL KURT HERRMAN GMBH (DE) 2002-03-27 EP disclosed
CN-1277613-A Poly (ADP-ribose) polymerase ('PARP') inhibitors, methods and pharmaceutical compositions for treating neural or cardiovascular tissue damage GUILFORD PHARM INC (US) 2000-12-20 CN 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
US-4005208-A GASTRIC JUICE, ANTISECRETORY SMITHKLINE CORPORATION (US) 1977-01-25 US disclosed
US-3996364-A ANTISECRETORY SMITHKLINE CORPORATION (US) 1976-12-07 US disclosed
US-3980788-A XANTHENYL COMPOUNDS SMITHKLINE CORPORATION (US) 1976-09-14 US disclosed
US-3949076-A GASTRIC ACID SECRETION INHIBITION SMITHKLINE CORPORATION (US) 1976-04-06 US disclosed