SCHEMBL3631091

SCHEMBL3631091

CCCC[CH]CCCCOCCCC

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43
CYP3A4 P08684 1/20 0.41
LPAR2 Q9HBW0 2/20 0.38
LPAR3 Q9UBY5 2/20 0.38
LPAR1 Q92633 1/20 0.38
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL7189533 0.95 MEN1 (0.48) TSHRMEN1THRBHTTKMT2A
SCHEMBL15673463 0.93 MEN1 (0.52) TSHRMEN1THRBHTTKMT2A
SCHEMBL329204 0.91 MEN1 (0.40) TSHRMEN1THRBHTTKMT2A
SCHEMBL7181564 0.90 MEN1 (0.54) TSHRMEN1THRBHTTKMT2A
SCHEMBL4921495 0.90 MEN1 (0.54) TSHRMEN1THRBHTTKMT2A
SCHEMBL9483196 0.90 MEN1 (0.54) TSHRMEN1THRBHTTKMT2A
SCHEMBL983239 0.90 MEN1 (0.54) TSHRMEN1THRBHTTKMT2A
SCHEMBL329512 0.89 LPAR3 (0.39) TSHRMEN1THRBHTTKMT2A
SCHEMBL27847761 0.88 TSHR (0.46) TSHRMEN1THRBHTTKMT2A
SCHEMBL9171491 0.88 MEN1 (0.52) TSHRMEN1THRBHTTKMT2A

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-2509935-A1 METHOD FOR ISOMERIZING A SATURATED, BRANCHED, AND CYCLICAL HYDROCARBON BASF SE (DE) 2012-10-17 EP disclosed
EP-2260533-A1 IONIC LIQUID-CONTAINING CATALYST INK AND THE USE THEREOF IN THE PRODUCTION OF ELECTRODES, CCMS, GDES AND MEAS BASF SE (DE) 2010-12-15 EP disclosed
WO-2009109512-A1 IONIC LIQUID-CONTAINING CATALYST INK AND THE USE THEREOF IN THE PRODUCTION OF ELECTRODES, CCMS, GDES AND MEAS BASF SE (DE) 2009-09-11 WO disclosed
US-4154740-A HERBICIDES, ANIMAL GROWTH REGULATORS AMERICAN CYANAMID COMPANY (US) 1979-05-15 US disclosed