SCHEMBL17716635

SCHEMBL17716635

N#CCCC1(CCC#N)C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 10/20 0.53
ALDH1A1 P00352 3/20 0.49
CYP2C19 P33261 2/20 0.49
PGR P06401 2/20 0.40
MGLL Q99685 1/20 0.40
MAPK1 P28482 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
THPO P40225 1/20 0.38
GRK5 P34947 1/20 0.37
TYRO3 Q06418 1/20 0.37
DYRK1B Q9Y463 1/20 0.37

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
SCHEMBL17716634 0.86 NPSR1 (0.52) ELANEALDH1A1CYP2C19MGLLMAPK1
SCHEMBL17716645 0.83 ALDH1A1 (0.46) ELANEALDH1A1CYP2C19PGRMGLL
SCHEMBL17716273 0.75 ELANE (0.89) ELANEPGR
SCHEMBL4428745 0.74 ELANE (0.74) ELANEALDH1A1CYP2C19MGLLMAPK1
SCHEMBL2044288 0.70 ELANE (0.56) ELANEALDH1A1CYP2C19PGRMGLL
SCHEMBL16867612 0.70 ELANE (0.43) ELANEALDH1A1PGRMGLLGRK5
SCHEMBL16867613 0.70 ELANE (0.54) ELANEALDH1A1CYP2C19MGLLMAPK1
SCHEMBL17716633 0.68 ELANE (0.53) ELANEALDH1A1CYP2C19
SCHEMBL11654508 0.67 PGR (0.58) ELANEALDH1A1PGRMGLL
SCHEMBL11182628 0.67 MGLL (0.62) ELANEALDH1A1MGLLGRK5TYRO3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718933-B2 Optical film, and polarizing plate and liquid crystal display device employing same FUJIFILM CORPORATION (JP) 2017-08-01 US disclosed
US-20160122486-A1 OPTICAL FILM, AND POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY DEVICE EMPLOYING SAME FUJIFILM CORPORATION (JP) 2016-05-05 US disclosed