SCHEMBL4138512

SCHEMBL4138512

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

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
EPHX2 P34913 4/20 0.32
EPHX1 P07099 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 2/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL1840972 0.85 TSHR (0.62) TSHREPHX2EPHX1MEN1KMT2A
SCHEMBL1021940 0.84 TSHR (0.71) TSHREPHX1MEN1KMT2AALDH1A1
SCHEMBL982002 0.84 TSHR (0.74) TSHREPHX1MEN1KMT2AALDH1A1
SCHEMBL19975633 0.83 TSHR (0.66) TSHR
SCHEMBL24089173 0.83 TSHR (0.69) TSHREPHX1MEN1KMT2AALDH1A1
SCHEMBL13171360 0.82 TSHR (0.64) TSHREPHX1MEN1KMT2AALDH1A1
SCHEMBL17550913 0.82 TSHR (0.71) TSHREPHX1MEN1KMT2AALDH1A1
SCHEMBL1022208 0.82 TSHR (0.67) TSHR
SCHEMBL13413664 0.82 TSHR (0.60) TSHREPHX1TDP1MAPT
SCHEMBL25477739 0.82 TSHR (0.60) TSHREPHX1ALDH1A1TDP1MAPT

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