SCHEMBL7561924

SCHEMBL7561924

CC(C)C(=O)OC1c2ccccc2Oc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
CYP1A2 P05177 1/20 0.47
CHRM2 P08172 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CHRM1 P11229 1/20 0.47
NFKB1 P19838 1/20 0.47
KCNH2 Q12809 1/20 0.47
ATM Q13315 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
APEX1 P27695 1/20 0.46
RECQL P46063 1/20 0.46
PMP22 Q01453 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
MEN1 O00255 2/20 0.44

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
SCHEMBL7181697 0.85 HTT (0.45) TSHRCYP1A2CHRM2CYP3A4CYP2D6
SCHEMBL5730818 0.81 L3MBTL1 (0.50) ATML3MBTL1MAOAMAOBMEN1
SCHEMBL7555796 0.81 ATM (0.50) TSHRCYP1A2ATMSMN1; SMN2L3MBTL1
SCHEMBL685354 0.81 POLB (0.50) TSHRCYP1A2CYP3A4CYP2D6ATM
SCHEMBL5731331 0.79 ATM (0.52) TSHRCYP1A2CHRM2CHRM1ATM
SCHEMBL7837312 0.77 ATM (0.50) TSHRCYP1A2CHRM2CHRM1ATM
SCHEMBL11728672 0.77 HDAC3 (0.47) TSHRATMSMN1; SMN2MAPTL3MBTL1
SCHEMBL13561351 0.77 HTR2A (0.46) TSHRMEN1KMT2AHDAC4HDAC7
SCHEMBL2451297 0.76 L3MBTL1 (0.43) TSHRCYP1A2CHRM2CYP3A4CYP2D6
SCHEMBL12216155 0.75 L3MBTL1 (0.45) TSHRCYP1A2CHRM2CYP3A4CYP2D6

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