Ethane

Ethane

SCHEMBL9529291

CC.C[Si](C)(C)c1ccc(CN)cc1

nearest known ligand 0.48

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.48
LOXL2 Q9Y4K0 7/20 0.46
ABAT P80404 1/20 0.44
TAAR1 Q96RJ0 2/20 0.41
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
NOS2 P35228 2/20 0.40
PSIP1 O75475 1/20 0.40
ADRB2 P07550 1/20 0.40
F10 P00742 1/20 0.38
F11 P03951 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 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
SCHEMBL5470508 0.97 HRH3 (0.50) HRH3LOXL2ABATTAAR1NOS3
SCHEMBL10914886 0.82 HRH3 (0.50) HRH3LOXL2ABATTAAR1NOS3
SCHEMBL27786246 0.78 HRH3 (0.46) HRH3LOXL2ABATTAAR1NOS3
SCHEMBL27920384 0.78 LOXL2 (0.48) HRH3LOXL2ABATTAAR1NOS3
SCHEMBL15981407 0.78 ABAT (0.48) HRH3LOXL2ABATTAAR1NOS3
SCHEMBL19600562 0.78 TAAR1 (0.56) LOXL2TAAR1NOS3NOS1NOS2
SCHEMBL6510336 0.76 ESR1 (0.41) HRH3TAAR1
SCHEMBL1908526 0.75 PNMT (0.48) LOXL2NOS3NOS1NOS2
SCHEMBL15828 0.74 HRH3 (0.79) HRH3LOXL2ABATTAAR1NOS3
SCHEMBL586534 0.74 NR1H2 (0.50)

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-0555388-A1 INSECTICIDAL, ACARICIDAL AND FUNGICIDAL AMINOPYRIMIDINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-08-18 EP disclosed