SCHEMBL28444563

SCHEMBL28444563

N#CC=C(C#N)c1ccc(C=Cc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
HDAC1 Q13547 1/20 0.44
ALDH1A1 P00352 6/20 0.44
MAPT P10636 5/20 0.44
RAB9A P51151 4/20 0.44
MAPK1 P28482 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 3/20 0.41
NFE2L2 Q16236 1/20 0.39
CYP19A1 P11511 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
PLAT P00750 1/20 0.38

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
SCHEMBL20365632 0.85 ALDH1A1 (0.49) ESR1ESR2ALDH1A1MAPTRAB9A
SCHEMBL11065106 0.85 ALDH1A1 (0.49) ESR1ESR2ALDH1A1MAPTRAB9A
SCHEMBL3977494 0.85 ALDH1A1 (0.49) ESR1ESR2ALDH1A1MAPTRAB9A
SCHEMBL28724952 0.81 ALDH1A1 (0.40) ESR1ESR2ALDH1A1MAPTRAB9A
SCHEMBL29904849 0.81 ALDH1A1 (0.44) ESR1ESR2ALDH1A1MAPTRAB9A
SCHEMBL6003470 0.80 MAPT (0.57) ALDH1A1MAPTRAB9AMAPK1L3MBTL1
SCHEMBL6003474 0.80 MAPT (0.57) ALDH1A1MAPTRAB9AMAPK1L3MBTL1
SCHEMBL28518099 0.77 ALDH1A1 (0.46) ESR1ESR2ALDH1A1MAPTRAB9A
SCHEMBL8720932 0.77 ALDH1A1 (0.46) ESR1ESR2ALDH1A1MAPTRAB9A
SCHEMBL8720934 0.77 ALDH1A1 (0.46) ESR1ESR2ALDH1A1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111621077-A Light conversion master batch, preparation method thereof and light conversion agricultural film prepared from light conversion master batch 济南大学 2020-09-04 CN claimed
CN-111621077-A Light conversion master batch, preparation method thereof and light conversion agricultural film prepared from light conversion master batch 济南大学 2020-09-04 CN disclosed
CN-111607151-A Heat-insulation light-conversion agricultural film and preparation method thereof 山东莘纳智能新材料有限公司 2020-09-01 CN disclosed