SCHEMBL18012240

SCHEMBL18012240

CCCCCCCCCCCC(N)OC(=O)C(C#N)=C(c1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
LMNA P02545 1/20 0.58
MAPK1 P28482 1/20 0.58
PRSS1 P07477 3/20 0.39
CTSG P08311 2/20 0.39
CTRB1 P17538 2/20 0.39
CMA1 P23946 2/20 0.39
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
CSNK1E P49674 1/20 0.38
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP12 P39900 1/20 0.37
NAAA Q02083 1/20 0.37
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
GRIK1 P39086 1/20 0.35
GRIK2 Q13002 1/20 0.35

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
SCHEMBL18012239 1.00 ALDH1A1 (0.58) ALDH1A1LMNAMAPK1PRSS1CTSG
SCHEMBL18012244 1.00 ALDH1A1 (0.58) ALDH1A1LMNAMAPK1PRSS1CTSG
SCHEMBL18012243 0.90 ALDH1A1 (0.57) ALDH1A1LMNAMAPK1PRSS1CTSG
SCHEMBL18012242 0.85 ALDH1A1 (0.56) ALDH1A1LMNAMAPK1
SCHEMBL601710 0.84 ALDH1A1 (0.63) ALDH1A1LMNAMAPK1PRSS1CTSG
SCHEMBL12832065 0.83 ALDH1A1 (0.55) ALDH1A1LMNAMAPK1PRSS1CTSG
SCHEMBL4743756 0.81 ALDH1A1 (0.67) ALDH1A1LMNAMAPK1PRSS1CTSG
SCHEMBL14877495 0.79 ALDH1A1 (0.65) ALDH1A1LMNAMAPK1CES2CES1
SCHEMBL7205837 0.79 ALDH1A1 (0.65) ALDH1A1LMNAMAPK1CES2CES1
SCHEMBL1123572 0.79 ALDH1A1 (0.65) ALDH1A1LMNAMAPK1CES2CES1

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-9726932-B2 Optical film, optical compensation film, polarizing plate and liquid crystal display FUJIFILM CORPORATION (JP) 2017-08-08 US disclosed
US-20160231606-A1 OPTICAL FILM, OPTICAL COMPENSATION FILM, POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY FUJIFILM CORPORATION (JP) 2016-08-11 US disclosed