SCHEMBL3340840

SCHEMBL3340840

CC(C)CCC(C)Nc1ccc(NC(C)CC(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
CYP3A4 P08684 3/20 0.61
ALOX15 P16050 3/20 0.61
TSHR P16473 3/20 0.61
HSD17B10 Q99714 3/20 0.61
MAPK1 P28482 3/20 0.61
ALOX12 P18054 3/20 0.61
HIF1A Q16665 2/20 0.61
L3MBTL1 Q9Y468 4/20 0.50
TDP1 Q9NUW8 4/20 0.50
THRB P10828 2/20 0.50
TP53 P04637 1/20 0.50
HSP90AA1 P07900 1/20 0.50
CASP1 P29466 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
EPHX2 P34913 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL39071 0.91 ALDH1A1 (0.58) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL144947 0.89 ALDH1A1 (0.73) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL9653427 0.83 ALDH1A1 (0.75) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL9933293 0.83 ALDH1A1 (0.85) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL819511 0.82 TDP1 (0.48) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL24564966 0.81 ALDH1A1 (0.63) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL13996001 0.81 ALDH1A1 (0.63) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL9511506 0.81 ALDH1A1 (0.63) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL1899338 0.81 ALDH1A1 (0.58) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL13996008 0.81 ALDH1A1 (0.63) ALDH1A1CYP3A4ALOX15TSHRHSD17B10

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902106-B1 PRIMER COMPOSITIONS FOR ADHESIVE BONDING SYSTEMS HENKEL CORP (US) 2014-08-20 EP claimed
US-20100151253-A1 Primer Compositions for Adhesive Bonding Systems HENKEL KGAA (DE) 2010-06-17 US claimed
US-6723763-B2 ANAEROBIC ADHESIVE COMPOSITION COMPRISING (METH)ACRYLATE COMPONENT, ANAEROBIC CURE-INDUCING COMPOSITION, AND PHENYLENEDIAMINE-BASED CURE ACCELERATOR HENKEL LOCTITE CORPORATION 2004-04-20 US claimed
US-20030207126-A1 Cure accelerators for anaerobic adhesive compositions LOCTITE CORPORATION 2003-11-06 US claimed
WO-2003078537-A2 CURE ACCELERATORS FOR ANAEROBIC ADHESIVE COMPOSITIONS HENKEL CORPORATION (US) 2003-09-25 WO claimed
US-4078001-A RUBBER PRESERVATIVES MONSANTO COMPANY (US) 1978-03-07 US claimed
US-3968080-A VULCANIZING RUBBER MONSANTO COMPANY (US) 1976-07-06 US claimed
US-9522974-B2 Primer compositions for adhesive bonding systems and coatings HENKEL AG & CO. KGAA (DE) 2016-12-20 US disclosed
EP-2190900-B1 PRIMER COMPOSITIONS FOR ADHESIVE BONDING SYSTEMS AND COATINGS HENKEL AG & CO KGAA (DE) 2016-01-06 EP disclosed
EP-1902106-B1 PRIMER COMPOSITIONS FOR ADHESIVE BONDING SYSTEMS HENKEL CORP (US) 2014-08-20 EP disclosed
US-8288533-B1 Methods for preparing benzoxazines using aqueous solvent HENKEL CORPORATION (US) 2012-10-16 US disclosed
US-20100285309-A1 PRIMER COMPOSITIONS FOR ADHESIVE BONDING SYSTEMS AND COATINGS HENKEL AG & CO. KGAA (DE) 2010-11-11 US disclosed
US-20100151253-A1 Primer Compositions for Adhesive Bonding Systems HENKEL KGAA (DE) 2010-06-17 US disclosed
US-4900868-A Process for producing N,N'-disubstituted paraphenylene diamine mixtures by sequential reductive alkylation MONSANTO COMPANY (US) 1990-02-13 US disclosed
EP-0084527-A2 Process for producing paraphenylenediamine mixtures MONSANTO COMPANY (US) 1983-07-27 EP disclosed
US-4078001-A RUBBER PRESERVATIVES MONSANTO COMPANY (US) 1978-03-07 US disclosed
US-4078001-A RUBBER PRESERVATIVES MONSANTO COMPANY (US) 1978-03-07 US disclosed
US-4078001-A RUBBER PRESERVATIVES MONSANTO COMPANY (US) 1978-03-07 US disclosed
US-3968080-A VULCANIZING RUBBER MONSANTO COMPANY (US) 1976-07-06 US disclosed
US-3929855-A N-1,3-Dimethylbutyl-N{40 -1,4-dimethylpentyl-p-phenylenediamine antiozonants MONSANTO CO 1975-12-30 US disclosed