SCHEMBL6882541

SCHEMBL6882541

C=CC(=O)NC(C(C)CC)C(C)CC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.56
ALDH1A1 P00352 5/20 0.38
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
ACACB O00763 2/20 0.37
MME P08473 2/20 0.35
ACE P12821 2/20 0.35
CPA1 P15085 2/20 0.35
ACE2 Q9BYF1 2/20 0.35
CYP2C19 P33261 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
NOS3 P29474 2/20 0.31
NOS1 P29475 2/20 0.31

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
SCHEMBL8176613 0.79 ALDH1A1 (0.58) TSHRALDH1A1MAPK1MMEACE
SCHEMBL8176609 0.79 ALDH1A1 (0.58) TSHRALDH1A1MAPK1MMEACE
SCHEMBL1315706 0.78
SCHEMBL8401460 0.78
SCHEMBL319728 0.78
SCHEMBL29244359 0.78 TSHR (0.65) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL7050671 0.77 TSHR (0.48) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL7447123 0.77 TSHR (0.58) TSHRALDH1A1MAPK1TDP1ZDHHC20
Ammonia Solution, Strong SCHEMBL28050078 0.77 TSHR (0.58) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL14344159 0.77 TSHR (0.58) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1389521-A2 Thermosensitive/photosensitive resin composition Fuji Photo Film Co., Ltd. (JP) 2004-02-18 EP disclosed