SCHEMBL4138562

SCHEMBL4138562

CCOCCOC(=O)NCC1(C)CC(C)CC(C)(C)C1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
EPHX2 P34913 7/20 0.35
MAPT P10636 2/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ACHE P22303 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL12462194 0.88 TSHR (0.51) TSHRALDH1A1MEN1KMT2AMAPT
SCHEMBL17658797 0.88 TSHR (0.54) TSHRALDH1A1MEN1KMT2AMAPT
SCHEMBL429195 0.85 TSHR (0.49) TSHRALDH1A1MEN1KMT2AMAPT
SCHEMBL410380 0.84 TSHR (0.48) TSHRALDH1A1MEN1KMT2AMAPT
SCHEMBL20117523 0.84 TSHR (0.50) TSHRALDH1A1MEN1KMT2AMAPT
SCHEMBL1753633 0.84 TSHR (0.53) TSHRALDH1A1MEN1KMT2AMAPT
SCHEMBL20365712 0.82 TSHR (0.46) TSHRALDH1A1MEN1KMT2AMAPT
SCHEMBL410889 0.82 TSHR (0.46) TSHRALDH1A1MEN1KMT2AMAPT
SCHEMBL13647776 0.82 TSHR (0.68) TSHRALDH1A1MAPT
SCHEMBL4138512 0.81 TSHR (0.60) TSHRALDH1A1MEN1KMT2AEPHX2

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-8168582-B2 Fabric softening composition comprising a polymeric viscosity modifier THE SUN PRODUCTS CORPORATION (US) 2012-05-01 US disclosed
US-20090291876-A1 Fabric Softening Composition HENKEL AG & CO. KGAA (DE) 2009-11-26 US disclosed