SCHEMBL7122548

SCHEMBL7122548

CC(C)(C)NNC(=O)NNC(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.31
GAA P10253 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
DGAT1 O75907 1/20 0.31
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 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
SCHEMBL11017810 0.85 ALDH1A1 (0.31) ALDH1A1
SCHEMBL961446 0.83 CYP1A2 (0.32) TSHR
SCHEMBL1760354 0.78
SCHEMBL138983 0.78
SCHEMBL2699370 0.75
SCHEMBL6636831 0.75 L3MBTL1 (0.39) GAAMAPTALDH1A1
SCHEMBL5073789 0.75 APLNR (0.44) GAATDP1DGAT1NPC1RAB9A
SCHEMBL12527323 0.74
SCHEMBL12328388 0.71 MEN1 (0.39) NPSR1GAATDP1NPC1MAPT
SCHEMBL10460554 0.71 GAA (0.39) GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030072923-A1 Ink-jet recording material and ink for ink-jet recording MITSUBISHI PAPER MILLS LIMITED (JP) 2003-04-17 US disclosed