SCHEMBL4649558

SCHEMBL4649558

CC(=O)C(=Cc1ccccc1)N1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.56
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 3/20 0.52
AKR1C3 P42330 1/20 0.46
RECQL P46063 1/20 0.44
MAPT P10636 1/20 0.43
CHRM1 P11229 1/20 0.43
USP2 O75604 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL3885423 0.98 HPGD (0.54) HPGDKMT2AMEN1ALDH1A1KDM4E
SCHEMBL3647001 0.84 RAB9A (0.55) HPGDKMT2AMEN1ALDH1A1KDM4E
SCHEMBL22471559 0.83 KMT2A (0.56) HPGDKMT2AMEN1ALDH1A1KDM4E
SCHEMBL15970643 0.78 KMT2A (0.72) HPGDKMT2AMEN1ALDH1A1KDM4E
SCHEMBL15970641 0.78 KMT2A (0.72) HPGDKMT2AMEN1ALDH1A1KDM4E
SCHEMBL613703 0.77 HPGD (0.51) HPGDKMT2AMEN1ALDH1A1KDM4E
SCHEMBL11788285 0.75 HPGD (0.50) HPGDKMT2AMEN1ALDH1A1KDM4E
SCHEMBL11788280 0.75 HPGD (0.50) HPGDKMT2AMEN1ALDH1A1KDM4E
SCHEMBL15364456 0.72 HPGD (0.44) HPGDKMT2AMEN1ALDH1A1KDM4E
SCHEMBL27844827 0.72 HPGD (0.47) HPGDKMT2AMEN1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1962789-A1 VOLUMIZING HAIR TREATMENT AGENT Henkel AG & Co. KGaA (DE) 2008-09-03 EP disclosed
EP-1868688-A2 OXIDATION DYES COMPRISING 2-FURANONES AND COLLAGEN (DERIVATIVES) HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-12-26 EP disclosed
WO-2007068308-A1 VOLUMIZING HAIR TREATMENT AGENT HENKEL AG & CO. KGAA (DE) 2007-06-21 WO disclosed
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO disclosed
WO-2006108505-A2 OXIDATION DYES COMPRISING 2-FURANONES AND COLLAGEN (DERIVATIVES) HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-10-19 WO disclosed
EP-1682229-A1 AGENT FOR MINIMISING THE COLORATION OF THE SKIN Henkel Kommanditgesellschaft auf Aktien (DE) 2006-07-26 EP disclosed
WO-2006045454-A1 AGENT COMPRISING SILYL-CARBONATE OR -CARBAMATE FOR THE SIMULTANEOUS COLOURING AND BLEACHING OF FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-05-04 WO disclosed
WO-2005034896-A1 AGENT FOR MINIMISING THE COLORATION OF THE SKIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-04-21 WO disclosed