SCHEMBL2906578

SCHEMBL2906578

C=C(C=CC(N)=O)C(=O)NCC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
MMP1 P03956 1/20 0.36
MMP8 P22894 1/20 0.36
CNR2 P34972 5/20 0.35
CNR1 P21554 3/20 0.35
PPARG P37231 2/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CETP P11597 1/20 0.33
CYP1A2 P05177 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
SCHEMBL5713281 0.79 GFPT1 (0.30)
SCHEMBL7890988 0.77 CNR2 (0.50) CYP2D6CYP2C19MMP1MMP8CNR2
SCHEMBL7890992 0.77 CNR2 (0.50) CYP2D6CYP2C19MMP1MMP8CNR2
SCHEMBL25499220 0.77 CYP2D6 (0.46) CYP2D6CYP2C19KMT2AALDH1A1MEN1
SCHEMBL4981974 0.77
SCHEMBL6652448 0.74 MMP1 (0.38) KMT2AALDH1A1MEN1MMP1KDM4E
SCHEMBL5001767 0.72 CYP2D6 (0.54) CYP2D6CYP2C19KMT2AALDH1A1MEN1
SCHEMBL8594606 0.72 CYP2D6 (0.45) CYP2D6CYP2C19KMT2AALDH1A1MEN1
SCHEMBL6850946 0.71 CYP2D6 (0.65) CYP2D6CYP2C19KMT2AALDH1A1MEN1
SCHEMBL366427 0.70 CYP2D6 (0.52) CYP2D6CYP2C19KMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0940136-B1 Reducing agent from a plurality of components and process for permanent hair waving using it OREAL (FR) 2004-10-13 EP claimed
EP-0930061-B1 Oxidizing agent from a plurality of components and process for permanent hair waving using it OREAL (FR) 2004-02-25 EP claimed
EP-0940136-A1 Reducing agent from a plurality of components and process for permanent hair waving using it L'OREAL (FR) 1999-09-08 EP claimed
EP-0930061-A1 Oxidizing agent from a plurality of components and process for permanent hair waving using it L'OREAL (FR) 1999-07-21 EP claimed
EP-2070514-B1 Method for long-lasting hair treatment of fibre in four steps L'ORÉAL (FR) 2017-04-12 EP disclosed
EP-2218438-A1 Solid deodorant composition comprising fatty acid salts and ethoxylated fatty alcohol; stabilisation method L'Oréal (FR) 2010-08-18 EP disclosed
EP-1410787-B1 Cosmetic make-up compositions for keratin fibres OREAL (FR) 2009-11-18 EP disclosed
EP-2070514-A2 Method for durable treatment of fibre in four stages L'Oreal (FR) 2009-06-17 EP disclosed
EP-0940136-B1 Reducing agent from a plurality of components and process for permanent hair waving using it OREAL (FR) 2004-10-13 EP disclosed
EP-1090629-B1 Aescin and dextran sulfate association OREAL (FR) 2004-08-04 EP disclosed
EP-0940136-A1 Reducing agent from a plurality of components and process for permanent hair waving using it L'OREAL (FR) 1999-09-08 EP disclosed