SCHEMBL4039656

SCHEMBL4039656

NC(=O)[C@@H](C[C@@H](O)[CH]Cc1ccccc1)C(=O)Nc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.42
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 1/20 0.40
LTA4H P09960 1/20 0.40
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
HDAC2 Q92769 2/20 0.39
EPHX2 P34913 1/20 0.39
POLB P06746 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39

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
SCHEMBL4045052 0.92 LMNA (0.46) MAPTHTTLMNAPOLBTAAR1
SCHEMBL4043128 0.89 PKM (0.48) HDAC1L3MBTL1HTTLMNAALDH1A1
SCHEMBL4044987 0.84 MMP8 (0.51) ALDH1A1GAA
SCHEMBL4040058 0.83 ALDH1A1 (0.45) HDAC1ALDH1A1HDAC2POLBHDAC3
SCHEMBL4046147 0.82 TSHR (0.44) L3MBTL1HTTALDH1A1TP53GAA
SCHEMBL4041195 0.80 MMP1 (0.41)
SCHEMBL4042233 0.80 PKM (0.48) ALDH1A1
SCHEMBL4040963 0.79 REN (0.47) LMNAALDH1A1
SCHEMBL3936972 0.79 REN (0.47) LMNAALDH1A1
SCHEMBL4039621 0.79 CCNA2 (0.46) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504093-B2 Composition for treating hair UNILEVER HOME & PERSONAL CARE USA DIVISION OF CONOPCO, INC. (US) 2009-03-17 US disclosed
EP-1651592-A2 NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF Novartis AG (CH) 2006-05-03 EP disclosed
WO-2005014517-A2 NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2005-02-17 WO disclosed
US-20030161796-A1 Composition for treating hair UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2003-08-28 US disclosed
US-6022547-A EXTERNAL AQUEOUS PHASE AND INTERNAL PHASE COMPRISING A PRIMARY WATER-IN-OIL EMULSION, WHEREIN THE PRIMARY EMULSION COMPRISES A FIRST TOPICALLY-ACTIVE COMPOUND, A SURFACTANT PHASE, OIL PHASE AND WATER HELENE CURTIS, INC. (US) 2000-02-08 US disclosed
US-5942216-A COMPRISING AN EXTERNAL AQUEOUS PHASE OF A SURFACTANT CAPABLE OF FORMIG LIQUID CRYSTALS AS AN EMULSIFIER; THE INTERNAL WATER-IN OIL EMULSION HAVING A TOPICALLY-ACTIVE COMPOUND AND SURFACTANT AND OIL PHASES; HAIR AND SKIN TREATMENTS HELENE CURTIS, INC. (US) 1999-08-24 US disclosed
US-5656280-A CONTAINING A SURFACTANT BLEND FOR STABILITY AND A TOPICALLY-ACTIVE COMPOUND HELENE CURTIS, INC. (US) 1997-08-12 US disclosed
CN-1138982-A Rinse-off water-in-oil-in-water compositions CURTIS HELENE IND INC (US) 1997-01-01 CN disclosed
US-5589177-A OIL SOLUBLE SILICONES WITH WATER FOR EMULSIONS FOR TOPICAL APPLICATION AND HAIR FIXATIVES HELENE CURTIS, INC. (US) 1996-12-31 US disclosed