SCHEMBL784461

SCHEMBL784461

C=CC(=O)NCC(C)OC(=O)C(C)C(C)C=O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
TGM2 P21980 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
SCHEMBL784546 0.80 TSHR (0.39) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL16803337 0.79 TSHR (0.45) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL17522060 0.77 TSHR (0.43) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL784470 0.77 ZDHHC20 (0.40) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL784691 0.75 TSHR (0.58) TSHRALDH1A1MAPK1
SCHEMBL784665 0.75 ZDHHC20 (0.45) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL24495940 0.75 TSHR (0.48) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL24492417 0.73 TSHR (0.46) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL24492302 0.73 TSHR (0.46) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL29042187 0.73 TSHR (0.46) TSHRALDH1A1MAPK1TDP1ZDHHC20

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8708474-B2 Ink composition, ink set and image forming method FUJIFILM CORPORATION (JP) 2014-04-29 US disclosed
US-8668322-B2 2014-03-11 US disclosed
US-20120069083-A1 INK COMPOSITION, INK SET AND IMAGE FORMING METHOD FUJIFILM CORPORATION (JP) 2012-03-22 US disclosed