SCHEMBL7778357

SCHEMBL7778357

CCCCCCCCNC(=S)OCC(COC(N)=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ PKM P14618 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ NAAA Q02083 3/20 0.50
▸ EPHX1 P07099 4/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SIRT2 Q8IXJ6 3/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ ZDHHC2 Q9UIJ5 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ SIRT1 Q96EB6 2/20 0.41
▸ EGFR P00533 1/20 0.41
▸ SIRT3 Q9NTG7 1/20 0.40

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
Carbamic Acid SCHEMBL7778361 0.90 NAAA (0.49) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1
SCHEMBL7775519 0.80 CYP1A2 (0.71) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1
SCHEMBL7777226 0.78 CYP1A2 (0.68) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1
SCHEMBL7775738 0.77 CYP1A2 (0.62) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1
Felbamate SCHEMBL34947 0.76 CYP1A2 (1.00) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1
Felbamate SCHEMBL2946508 0.76 CYP1A2 (1.00) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1
Felbamate SCHEMBL17597519 0.75 CYP1A2 (0.96) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1
Felbamate SCHEMBL7153063 0.75 CYP1A2 (0.96) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1
SCHEMBL13176888 0.74 CYP1A2 (0.80) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1
SCHEMBL7778358 0.73 SMN1; SMN2 (0.64) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0820440-B1 NOVEL CARBAMATE COMPOUNDS HAVING N-SUBSTITUTED THIOCARBAMOYL GROUP AND PROCESS FOR PREPARING THE SAME SK CORP (KR) 2001-08-29 — — EP disclosed
US-5817858-A Carbamate compounds having N-substituted thiocarbamoyl group and process for preparing the same YUKONG LIMITED (KR) 1998-10-06 — — US disclosed
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