SCHEMBL8977572

SCHEMBL8977572

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ZDHHC20 Q5W0Z9 1/20 0.43
ZDHHC2 Q9UIJ5 1/20 0.43
TGM2 P21980 1/20 0.36
ACACB O00763 1/20 0.31
CNR2 P34972 3/20 0.31
CNR1 P21554 2/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
PPARG P37231 2/20 0.30
PPARD Q03181 2/20 0.30
PPARA Q07869 2/20 0.30

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
SCHEMBL8664784 0.81 TSHR (0.45) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL28708233 0.80 TSHR (0.48) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL108347 0.80 TSHR (0.56) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL20805929 0.79 TSHR (0.43) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL18755013 0.77 TSHR (0.54) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL372689 0.77
SCHEMBL799424 0.76 TSHR (0.48) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL18559656 0.76 TSHR (0.45) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL19492608 0.75 MTNR1A (0.42) TSHRALDH1A1MAPK1ACACBCYP2D6
SCHEMBL14901 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0472204-B1 Surface treated materials of excellent adhesion for painting layer, corrosion resistance after painting, and press formability, as well as a method of manufacturing them KOBE STEEL LTD (JP) 1996-04-24 EP claimed
EP-0472204-B1 Surface treated materials of excellent adhesion for painting layer, corrosion resistance after painting, and press formability, as well as a method of manufacturing them KOBE STEEL LTD (JP) 1996-04-24 EP disclosed
US-5169726-A A zinc or iron series plating layer; a (meth)acrylic polymer having repeating units of a (meth)acrylic acid derivative containing an epoxy group KABUSHIKI KAISHA KOBE SEIKO SHO (JP) 1992-12-08 US disclosed
EP-0472204-A2 Surface treated materials of excellent adhesion for painting layer, corrosion resistance after painting, and press formability, as well as a method of manufacturing them KABUSHIKI KAISHA KOBE SEIKO SHO (JP) 1992-02-26 EP disclosed