SCHEMBL5174658

SCHEMBL5174658

CCCOCCCOCCCOCC[CH]OCC

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.33
SPHK2 Q9NRA0 1/20 0.33
USP2 O75604 1/20 0.31

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
SCHEMBL362827 1.00 MEN1 (0.34) MEN1THRBHTTKMT2AMAPT
SCHEMBL362180 0.93 HSD17B10 (0.31)
SCHEMBL4497954 0.87 HTT (0.48) MEN1THRBHTTKMT2AMAPT
SCHEMBL4507043 0.84 HTT (0.45) MEN1THRBHTTKMT2AMAPT
SCHEMBL6690273 0.82 TSHR (0.46) MEN1THRBHTTKMT2AMAPT
SCHEMBL4487022 0.82 TSHR (0.36) MEN1THRBHTTKMT2AMAPT
SCHEMBL16463758 0.80 HTT (0.35) MEN1THRBHTTKMT2AMAPT
SCHEMBL363519 0.80 HTT (0.35) MEN1THRBHTTKMT2AMAPT
SCHEMBL10493858 0.80 TSHR (0.39) MEN1THRBHTTKMT2AMAPT
SCHEMBL6436175 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006100023-A9 METHOD FOR THE DISTILLATIVE PURIFICATION OF SLOW-EVAPORATING FLUIDS BAYER TECHNOLOGY SERVICES GMBH (DE) 2007-12-13 WO disclosed
EP-1737834-A1 METHOD FOR PRODUCING 1,3,5-TRIAZINE CARBAMATES AND UREAS BASF AKTIENGESELLSCHAFT (DE) 2007-01-03 EP disclosed
WO-2005100328-A1 METHOD FOR PRODUCING 1,3,5-TRIAZINE CARBAMATES AND UREAS BASF AKTIENGESELLSCHAFT (DE) 2005-10-27 WO disclosed