SCHEMBL21143017

SCHEMBL21143017

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ACACB O00763 2/20 0.33
KISS1R Q969F8 4/20 0.33
CYP2C19 P33261 1/20 0.33
MMP1 P03956 2/20 0.32
MMP2 P08253 2/20 0.32
MMP3 P08254 2/20 0.32
MMP7 P09237 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
MAPT P10636 1/20 0.30
NOS3 P29474 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
SCHEMBL4112710 0.80 TSHR (0.50) TSHRALDH1A1MAPK1TDP1ACACB
SCHEMBL3379720 0.79 TSHR (0.50) TSHRALDH1A1MAPK1TDP1ACACB
Hydrochloric Acid SCHEMBL28149942 0.78 TSHR (0.48) TSHRALDH1A1MAPK1TDP1ACACB
SCHEMBL13751190 0.78 TSHR (0.58) TSHRALDH1A1MAPK1TDP1ACACB
SCHEMBL2437345 0.76 TSHR (0.56) TSHRALDH1A1MAPK1TDP1ACACB
SCHEMBL24244524 0.74 TSHR (0.54) TSHRALDH1A1MAPK1TDP1ACACB
SCHEMBL22868489 0.74 TSHR (0.54) TSHRALDH1A1MAPK1TDP1ACACB
SCHEMBL28532974 0.74 ZDHHC20 (0.44) TSHRALDH1A1MAPK1TDP1MEN1
SCHEMBL8219449 0.73 TSHR (0.52) TSHRALDH1A1MAPK1TDP1KISS1R
SCHEMBL8188102 0.73 ALDH1A1 (0.60) TSHRALDH1A1MEN1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11198281-B2 Laminated film for fiber adhesion and/or fiber sheet surface protection and thermosetting composition for fiber adhesion and/or fiber sheet surface protection MITSUBISHI CHEMICAL CORPORATION (JP) 2021-12-14 US disclosed
EP-3517558-B1 LAMINATED FILM FOR FIBER ADHESION AND/OR FIBER SHEET SURFACE PROTECTION AND THERMOSETTING COMPOSITION FOR FIBER ADHESION AND/OR FIBER SHEET SURFACE PROTECTION MITSUBISHI CHEM CORP (JP) 2021-09-15 EP disclosed
EP-3517558-A1 MULTILAYER FILM FOR FIBER BONDING AND/OR FIBER SHEET SURFACE PROTECTION, AND THERMOSETTING COMPOSITION FOR FIBER BONDING AND/OR FIBER SHEET SURFACE PROTECTION Mitsubishi Chemical Corporation (JP) 2019-07-31 EP disclosed
US-20190217588-A1 LAMINATED FILM FOR FIBER ADHESION AND/OR FIBER SHEET SURFACE PROTECTION AND THERMOSETTING COMPOSITION FOR FIBER ADHESION AND/OR FIBER SHEET SURFACE PROTECTION THE NIPPON SYNTHETIC CHEMICAL INDUSTRY CO., LTD. (JP) 2019-07-18 US disclosed
CN-102731946-A Polyvinyl alcohol series film and producing method thereof and lamination body for thermal transfer using the same NIPPON SYNTHETIC CHEM IND 2012-10-17 CN disclosed