SCHEMBL4407899

SCHEMBL4407899

C/C(C#N)=C1\CCc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.41
PTAFR P25105 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.37
SETD7 Q8WTS6 1/20 0.37
EGFR P00533 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
SRD5A1 P18405 1/20 0.35
SRD5A2 P31213 1/20 0.35
HTT P42858 1/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
HPGD P15428 1/20 0.34
ESR1 P03372 1/20 0.34
CYP19A1 P11511 1/20 0.34

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
SCHEMBL10046788 0.82 HSD17B10 (0.49) ALDH1A1GAAEGFRL3MBTL1TDP1
SCHEMBL30067338 0.81 EGFR (0.55) CES1ALDH1A1GAASETD7EGFR
SCHEMBL255282 0.81 EGFR (0.55) CES1ALDH1A1GAASETD7EGFR
SCHEMBL9970451 0.74 CES1 (0.37) CES1ALDH1A1GAASETD7EGFR
SCHEMBL31571396 0.74 CES1 (0.37) CES1ALDH1A1GAASETD7EGFR
SCHEMBL11073868 0.74 SRD5A1 (0.42) CES1PTAFRNPC1RAB9AALDH1A1
SCHEMBL9881029 0.74 CES1 (0.37) CES1ALDH1A1GAASETD7EGFR
SCHEMBL11073873 0.74 SRD5A1 (0.42) CES1PTAFRNPC1RAB9AALDH1A1
SCHEMBL14141263 0.70 GAA (0.37) ALDH1A1GAAEGFRHTTPOLB
SCHEMBL809325 0.70 CYP2A6 (0.46) CES1ALDH1A1GAAEGFRL3MBTL1

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-2261270-B1 Polymer, producing method thereof, and photorefractive composition NITTO DENKO CORP (JP) 2012-05-09 EP disclosed