Cyanate

Cyanate

SCHEMBL29834243

CC(C)(c1ccccc1)c1ccccc1.N#CO

nearest known ligand 0.60

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.60
▸ ESR2 Q92731 4/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ CYP3A4 P08684 2/20 0.60
▸ ALOX15 P16050 1/20 0.44
▸ AR P10275 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ HTR6 P50406 1/20 0.44
▸ ESRRG P62508 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ CNR1 P21554 4/20 0.43
▸ CNR2 P34972 4/20 0.43
▸ NR3C2 P08235 3/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
Cyanate SCHEMBL2410070 0.89 ESR1 (0.80) ESR1ESR2ALDH1A1CYP3A4AR
Water SCHEMBL27627259 0.87 ESR1 (0.67) ESR1ESR2ALDH1A1CYP3A4ALOX15
SCHEMBL14910456 0.84 ESR1 (0.70) ESR1ESR2ALDH1A1CYP3A4ALOX15
SCHEMBL35881 0.84 ESR1 (0.70) ESR1ESR2ALDH1A1CYP3A4ALOX15
Cyanate SCHEMBL28265153 0.82 ALDH1A1 (0.50) ESR1ESR2ALDH1A1CYP3A4ALOX15
SCHEMBL7535051 0.81 ESR1 (0.75) ESR1ESR2ALDH1A1CYP3A4ALOX15
SCHEMBL19205473 0.79 KIF11 (0.55) ESR1ESR2ALDH1A1CYP3A4TSHR
Bicarbonate SCHEMBL10822897 0.79 ESR1 (0.65) ESR1ESR2ALDH1A1CYP3A4ALOX15
Carbimide SCHEMBL11893834 0.79 ESR1 (0.58) ESR1ESR2ALDH1A1CYP3A4ALOX15
Bicarbonate SCHEMBL5607713 0.79 ESR1 (0.65) ESR1ESR2ALDH1A1CYP3A4ALOX15

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
CN-115003716-A Resin composition, resin sheet, prepreg, and printed wiring board 三菱瓦斯化学株式会社 2022-09-02 — — CN disclosed
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