SCHEMBL8977534

SCHEMBL8977534

CN(CCCO)c1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 3/20 0.43
MMP2 P08253 6/20 0.41
HRH3 Q9Y5N1 4/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KIF11 P52732 2/20 0.40
KDM1A O60341 1/20 0.36

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
SCHEMBL5776081 0.84 L3MBTL1 (0.43) MMP3MMP2HRH3ALDH1A1HPGD
SCHEMBL14516341 0.81 HRH3 (0.50) MMP3MMP2HRH3ALDH1A1HPGD
SCHEMBL13618783 0.80 CYP2A6 (0.46) MMP3HRH3ALDH1A1TSHRKIF11
SCHEMBL8977523 0.79 STAT3 (0.42) MMP3MMP2HRH3ALDH1A1HPGD
SCHEMBL11671854 0.78 TSHR (0.46) MMP3MMP2HRH3ALDH1A1HPGD
SCHEMBL23961173 0.77 CHRNB2 (0.41) HRH3ALDH1A1HPGDKDM1A
SCHEMBL16633470 0.76 KCNN4 (0.43)
SCHEMBL12733256 0.75 CYP2A6 (0.47) HRH3ALDH1A1HPGDTSHRHSD17B10
SCHEMBL12806211 0.75 HRH3 (0.44) HRH3ALDH1A1HPGDKDM1A
SCHEMBL14920406 0.75 ALDH1A1 (0.48) ALDH1A1HPGDTSHRHSD17B10

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-0463931-B1 Amorphous copolymers, translucent to visible light, for applications in non linear optics THOMSON CSF (FR) 1996-04-24 EP claimed