SCHEMBL7530091

SCHEMBL7530091

CCN(CC)CCOC(C)OC(C)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2D6 P10635 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
EBP Q15125 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
HRH3 Q9Y5N1 2/20 0.31
MAOA P21397 1/20 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
SCHEMBL749808 0.83 MEN1 (0.39) MEN1POLBKMT2ACYP2D6LMNA
SCHEMBL14920988 0.83 MEN1 (0.41) MEN1POLBKMT2ACYP2D6LMNA
SCHEMBL232570 0.79 CHRM2 (0.37) CYP2D6LMNACYP1A2TSHRCYP3A4
SCHEMBL7755870 0.78 MEN1 (0.35) MEN1POLBKMT2ACYP2D6LMNA
SCHEMBL1277992 0.76 HSD17B10 (0.41) LMNATSHR
SCHEMBL5002480 0.73 MEN1 (0.41) MEN1POLBKMT2ACYP2D6LMNA
SCHEMBL7751447 0.72 TSHR (0.40) MEN1POLBKMT2ACYP2D6LMNA
SCHEMBL11792381 0.72 HSD17B10 (0.38) LMNA
SCHEMBL19554731 0.72 MEN1 (0.33) MEN1POLBKMT2ALMNATSHR
SCHEMBL940934 0.72 TSHR (0.34) LMNATSHRALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5108880-A Developing agent, sulfite preservative and amino alcohol SUN CHEMICAL CORPORATION (US) 1992-04-28 US claimed
EP-0799349-B1 REDIGESTIBLE CELLULOSE-CONTAINING MARERIALS BAYER AG (DE) 2002-03-27 EP disclosed
EP-0582166-B2 Multifuctional resins without chlorine for paper finishing BAYER AG (DE) 2000-08-23 EP disclosed
US-6090871-A POLYISOCYANATE HAVING IONIC GROUPS OR POLYETHER GROUPS AND AT LEAST ONE MEMBER SELECTED FROM THE GROUP CONSISTING OF A NATURALLY OCCURRING POLYMER, A POLYSILOXANE GRAFT COPOLYMER, A WATER-DILUTABLE SYNTHETIC POLYMER AND A CATIONIC POLYMER BAYER AKTIENGESELLSCHAFT (DE) 2000-07-18 US disclosed
US-6080831-A OBTAINED BY REACTION OF SPECIFIED DIISOCYANATES CONTAINING CARBAMATE GROUPS, POLYISOCYANATES, POLYOXYETHYLENE GLYCOLS OPTIONALLY CONTAINING ESTERS, AND OPTIONALLY AMINES HAVING A GROUP REACTIVE TOWARDS ISOCYANATES; WET STRENGTH TO PAPER BAYER AKTIENGESELLSHAFT (DE) 2000-06-27 US disclosed
EP-0759041-B1 PAPER FINISHING AID BAYER AG (DE) 1999-08-11 EP disclosed
US-5739249-A POLYUREAURETHANE COPOLYMER BAYER AKTIENGESELLSCHAFT (DE) 1998-04-14 US disclosed
US-5718804-A USING A POLYETHERURETHANE COPOLYMER BAYER AKTIENGESELLSCHAFT (DE) 1998-02-17 US disclosed
EP-0799349-A1 REDEGISTABLE CELLULOSE-CONTAINING MATERIALS BAYER AG (DE) 1997-10-08 EP disclosed
EP-0759041-A1 PAPER FINISHING AID BAYER AG (DE) 1997-02-26 EP disclosed
WO-1996020309-A1 REDEGISTABLE CELLULOSE-CONTAINING MATERIALS BAYER AKTIENGESELLSCHAFT (DE) 1996-07-04 WO disclosed
EP-0707113-A1 Process for making dry- and/or wet-resistant cellulose webs BAYER AG (DE) 1996-04-17 EP disclosed
US-5503714-A POLYISOCYANATES HAVING TERTIARY AMINO OR AMMONIUM GROUPS; WET AND DRY STRENGTH BAYER AKTIENGESELLSCHAFT (DE) 1996-04-02 US disclosed
WO-1995031492-A1 PAPER FINISHING AID BAYER AKTIENGESELLSCHAFT (DE) 1995-11-23 WO disclosed
EP-0582166-A1 Multifuctional resins without chlorine for paper finishing BAYER AG (DE) 1994-02-09 EP disclosed
US-5108880-A Developing agent, sulfite preservative and amino alcohol SUN CHEMICAL CORPORATION (US) 1992-04-28 US disclosed