SCHEMBL4390974

SCHEMBL4390974

CC(C)Oc1cc(O)ccc1CN

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.47
TYR P14679 3/20 0.39
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
MAOB P27338 1/20 0.37
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
NFKB1 P19838 1/20 0.36
CYP2C19 P33261 1/20 0.36
ICAM1 P05362 1/20 0.36
SELE P16581 1/20 0.36
IRAK4 Q9NWZ3 2/20 0.35

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
SCHEMBL4392674 0.86 CSNK2A1 (0.41) CSNK2A1TYRMAOBHTR1AHTR1D
SCHEMBL8142072 0.81 TYR (0.43) TYR
SCHEMBL772479 0.79 MAOB (0.55) MAOB
Hydrochloric Acid SCHEMBL742117 0.78 MAOB (0.53) MAOB
SCHEMBL16370064 0.77 KMT2A (0.49) CSNK2A1
SCHEMBL4393909 0.76 ALDH1A1 (0.41) TYRMAOB
SCHEMBL8146596 0.76 ALOX5 (0.59) TYRHTR2C
SCHEMBL4389134 0.76 MAOB (0.41) CSNK2A1MAOBICAM1SELEIRAK4
SCHEMBL7726674 0.75 MAOB (0.59) TYRMAOBCYP2C9ICAM1SELE
SCHEMBL5901059 0.75 CSNK2A1 (0.44) CSNK2A1NOS3NOS1HTR2AIRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227390-B2 Binder resin for friction material, binder resin composition for friction material, composite material for friction material containing the same, friction material and production method thereof AKEBONO BRAKE INDUSTRY CO., LTD. (JP) 2012-07-24 US disclosed
US-20090137434-A1 BINDER RESIN FOR FRICTION MATERIAL, BINDER RESIN COMPOSITION FOR FRICTION MATERIAL, COMPOSITE MATERIAL FOR FRICTION MATERIAL CONTAINING THE SAME, FRICTION MATERIAL AND PRODUCTION METHOD THEREOF AKEBONO BRAKE INDUSTRY CO., LTD (JP) 2009-05-28 US disclosed