SCHEMBL10035790

SCHEMBL10035790

C=CC(=O)NC1(C)CC(C)(C)N(C)C(C)(C)C1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.32
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL11643424 0.78
SCHEMBL13902835 0.77
SCHEMBL21565891 0.77 TSHR (0.34) TSHRALDH1A1MAPK1TDP1
SCHEMBL19019111 0.76
SCHEMBL8446682 0.71 TSHR (0.40) TSHRALDH1A1MAPK1TDP1
SCHEMBL23071581 0.70 TSHR (0.32) TSHRNFKB1CYP2C19ALDH1A1MAPK1
SCHEMBL16245051 0.69 TSHR (0.34) TSHRALDH1A1MAPK1TDP1
SCHEMBL68637 0.69 HDAC4 (0.36) TSHR
SCHEMBL20314866 0.69 TSHR (0.39) TSHR
SCHEMBL24448353 0.69 TSHR (0.33) TSHRALDH1A1MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8092869-B2 Ink composition for ink jet recording and method for ink jet recording FUJIFILM CORPORATION (JP) 2012-01-10 US disclosed
US-8092869-B2 Ink composition for ink jet recording and method for ink jet recording FUJIFILM CORPORATION (JP) 2012-01-10 US disclosed
US-20090155484-A1 Inkjet recording ink composition and inkjet recording method FUJIFILM CORPORATION (JP) 2009-06-18 US disclosed
US-20090155484-A1 Inkjet recording ink composition and inkjet recording method FUJIFILM CORPORATION (JP) 2009-06-18 US disclosed
US-20090074982-A1 INK COMPOSITION FOR INK JET RECORDING AND METHOD FOR INK JET RECORDING FUJIFILM CORPORATION (JP) 2009-03-19 US disclosed
US-20090074982-A1 INK COMPOSITION FOR INK JET RECORDING AND METHOD FOR INK JET RECORDING FUJIFILM CORPORATION (JP) 2009-03-19 US disclosed
US-20080131618-A1 INK COMPOSITION FOR INKJET-RECORDING AND METHOD FOR INKJET-RECORDING FUJIFILM CORPORATION (JP) 2008-06-05 US disclosed
US-20080131618-A1 INK COMPOSITION FOR INKJET-RECORDING AND METHOD FOR INKJET-RECORDING FUJIFILM CORPORATION (JP) 2008-06-05 US disclosed
EP-1927477-A1 Ink composition for inkjet-recording and method for inkjet-recording FUJIFILM Corporation (JP) 2008-06-04 EP disclosed